4652371 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 8 7 7 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 2 2 2 3 3 3 4 4 4 5 5 6 6 7 7 8 8 9 10 10 11 11 11 12 12 13 13 14 15 16 16 16 17 17 17 15 4 5 6 8 15 28 8 18 19 7 10 9 11 9 12 20 21 22 13 23 24 25 26 14 27 14 29 30 16 17 31 32 33 34 35 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 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 7.9244 4.6783 6.2781 4.9889 3.732 5.2619 3.732 5.9674 4.6783 2.866 6.2619 2.866 2 2 7.2566 7.5673 8.5458 4.3751 4.9684 6.5812 5.988 4.8709 2.866 6.2619 6.8819 6.2619 2.866 5.864 1.4631 1.4631 6.9534 7.5467 8.4179 9.1524 8.6736 -0.7364 0.8327 -1.2745 -0.1178 1.1375 1.6375 2.1375 -0.324 2.4422 0.6375 1.6375 2.6375 1.1375 2.1375 -1.4807 -2.4313 -2.6375 -0.2051 -0.7374 -0.2366 0.2957 3.0315 0.0175 1.0175 1.6375 2.2575 3.2575 -1.736 0.8275 2.4475 -2.5186 -3.0509 -3.2442 -2.7653 -2.0308 8 8 8 8 8 8 8 8 8 8 2 2 5 5 6 7 7 10 12 13 5 6 7 10 9 9 12 13 14 14 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 267 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E073200000000000000000000000000000016000000030000000000000005801F000001E00100000000C08C19E0432C0F3CC1000A8032572540082802021022008D8A13864980860E2C09191942008609600C8C8071080800E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(2-methylindol-1-yl)ethyl]propanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(2-methyl-1-indolyl)ethyl]propanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-(2-methylindol-1-yl)ethyl]propanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(2-methylindol-1-yl)ethyl]propanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(2-methylindol-1-yl)ethyl]propanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(2-methylindol-1-yl)ethyl]propionamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H18N2O/c1-3-14(17)15-8-9-16-11(2)10-12-6-4-5-7-13(12)16/h4-7,10H,3,8-9H2,1-2H3,(H,15,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XPSXNFMXKDKSLZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 230.141913202 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H18N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 230.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC(=O)NCCN1C(=CC2=CC=CC=C21)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC(=O)NCCN1C(=CC2=CC=CC=C21)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 34 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 230.141913202 17 0 0 0 0 0 0 0 1 -1