82148 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 8 7 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 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 14 15 16 17 17 17 18 18 18 14 18 16 8 16 29 5 6 9 8 19 20 7 10 11 12 21 22 13 23 14 24 13 25 15 26 27 15 28 17 30 31 32 33 34 35 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 1 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 2.866 8.927 7.1951 6.358 6.3465 5.4641 5.4641 7.2067 7.2641 4.5981 6.358 4.5981 7.2641 3.732 3.732 8.0553 8.0437 2 5.7372 6.1277 7.816 7.4254 7.7998 4.5981 6.3509 4.5981 7.7998 3.1951 6.6546 7.4238 8.0366 8.6637 2.31 1.4631 1.69 1.0099 -1.5547 -1.5346 0.9752 -0.0247 1.5099 2.5099 -0.5347 1.4891 1.0099 3.0445 3.0099 2.5307 1.5099 2.5099 -2.0446 -3.0445 1.5099 0.09 -0.6048 -0.6494 0.0454 1.177 0.3899 3.6645 3.6299 2.8428 2.8199 -1.8384 -3.0374 -3.6645 -3.0517 2.0468 1.8199 0.9729 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 7 7 9 10 11 12 14 6 9 7 10 11 12 13 14 13 15 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 280 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0723000000000000000000000000000000000000000306000000000000000C15000001E00100000000C04C198063206C2C004008802215210000208002020000888800E08880C262284B11B84302024D61188A80790C0F00EA0000300001000004000060000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(7-methoxy-1-naphthyl)ethyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(7-methoxy-1-naphthalenyl)ethyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[2-(7-methoxy-1-naphthyl)ethyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YJYPHIXNFHFHND-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 243.125928785 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H17NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 243.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 38.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 243.125928785 18 0 0 0 0 0 0 0 1 -1