62370 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 13 13 13 14 14 15 15 16 16 17 17 18 18 18 19 19 20 20 21 21 22 22 23 24 12 4 6 9 5 10 12 5 7 25 26 27 8 28 29 30 31 32 11 33 34 35 36 37 14 15 16 17 13 18 38 39 19 40 20 41 21 42 22 43 44 45 46 23 47 23 48 24 49 24 50 51 52 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 4 2 5 7 25 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 7.1962 3.732 5.4641 4.5981 4.5981 3.732 5.4641 2.866 2.866 5.4641 2.866 6.3301 6.3301 4.5981 6.3301 3.732 2 7.1962 4.5981 6.3301 3.732 2 5.4641 2.866 4.5981 3.9875 4.386 4.3426 3.9441 5.7741 6.001 5.1541 2.2554 2.654 2.556 2.3291 3.176 6.1181 5.7196 4.0611 6.8671 4.269 1.4631 7.5062 7.7331 6.8862 4.0611 6.8671 4.269 1.4631 5.4641 2.866 -1.75 0.25 -1.75 -0.25 -1.25 1.25 0.25 1.75 -0.25 -2.75 2.75 -1.25 -0.25 -3.25 -3.25 3.25 3.25 0.25 -4.25 -4.25 4.25 4.25 -4.75 4.75 0.37 -1.1423 -1.8326 1.1423 1.8326 -0.2869 0.56 0.7869 1.8577 1.1674 0.2869 -0.56 -0.7869 0.3326 -0.3577 -2.94 -2.94 2.94 2.94 -0.2869 0.56 0.7869 -4.56 -4.56 4.56 4.56 -5.37 5.37 3 8 8 8 8 8 8 8 8 8 8 8 8 4 10 10 11 11 14 15 16 17 19 20 21 22 7 14 15 16 17 19 20 21 22 23 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 359 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B2000000000000000000000000000000000000000306000000000000000014000001E00000000000C28C1980432C083000000880225525000820000210200088801086488086022C09191942008608600C8C8071080800E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-propanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-[methyl(2-phenylethyl)amino]propyl]-N-phenylpropanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[2-[methyl(2-phenylethyl)amino]propyl]-<I>N</I>-phenylpropanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-[methyl(2-phenylethyl)amino]propyl]-N-phenylpropanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-[methyl(2-phenylethyl)amino]propyl]-N-phenyl-propanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-[methyl(phenethyl)amino]propyl]-N-phenyl-propionamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H28N2O/c1-4-21(24)23(20-13-9-6-10-14-20)17-18(2)22(3)16-15-19-11-7-5-8-12-19/h5-14,18H,4,15-17H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RXTHKWVSXOIHJS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 324.220163521 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H28N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 324.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC(=O)N(CC(C)N(C)CCC1=CC=CC=C1)C2=CC=CC=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC(=O)N(CC(C)N(C)CCC1=CC=CC=C1)C2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 23.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 324.220163521 24 1 0 1 0 0 0 0 1 -1