3242687 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 8 8 8 8 7 7 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 2 3 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 11 12 12 14 14 15 15 15 16 16 17 17 18 18 19 20 21 21 22 22 23 23 24 25 25 25 11 12 10 13 20 25 7 8 10 13 15 35 9 26 27 11 14 13 28 29 12 16 30 31 18 32 17 33 34 19 36 20 21 19 37 38 22 23 39 24 40 24 41 42 43 44 45 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 2 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 36 37 38 39 40 41 42 43 44 45 4.666 6.3981 4.666 8.1301 4.666 6.3981 4.666 3.8 5.5321 5.5321 3.8 5.5321 5.5321 2.9061 6.3981 2.9061 7.2641 2 2 8.1301 7.2641 8.9962 8.1301 8.9962 8.9962 4.0555 4.454 6.1426 5.7441 6.1426 5.7441 2.9132 5.7875 6.186 6.935 2.9132 1.4643 1.4643 6.7272 9.5331 8.1301 9.5331 9.3062 9.5331 8.6862 3.9827 1.9827 -1.0173 -1.0173 1.9827 -1.0173 0.9827 2.4827 0.4827 2.4827 3.4827 3.4827 -0.5173 1.948 -2.0173 4.0173 -2.5173 2.4618 3.5035 -2.0173 -3.5173 -2.5173 -4.0173 -3.5173 -0.5173 1.0903 0.4001 0.375 1.0653 3.375 4.0653 1.328 -1.9097 -2.5999 -0.7073 4.6373 2.1498 3.8156 -3.8273 -2.2073 -4.6373 -3.8273 -1.0543 -0.2073 0.0196 8 8 8 8 8 8 8 8 8 8 8 8 8 8 11 14 16 17 17 18 20 21 22 23 11 14 16 18 19 20 21 19 22 23 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 470 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B38000000000000000000000000000000000000003C6080000000000000B14000001E00100000000C0CE1980632C683C004008802255250028208002122000888814F6C880E262AC4F19F873828E6D611D8E80790C0200E00000000000810000000000000102000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2-methoxyphenyl)methyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(3-keto-1,4-benzoxazin-4-yl)-N-o-anisyl-propionamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H20N2O4/c1-24-16-8-4-2-6-14(16)12-20-18(22)10-11-21-15-7-3-5-9-17(15)25-13-19(21)23/h2-9H,10-13H2,1H3,(H,20,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HLDOUHBVEWTMNU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.14230712 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H20N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1CNC(=O)CCN2C(=O)COC3=CC=CC=C32 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC=C1CNC(=O)CCN2C(=O)COC3=CC=CC=C32 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 67.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.14230712 25 0 0 0 0 0 0 0 1 -1