69157239 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 8 8 8 8 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 3 3 4 5 5 5 6 6 7 8 8 8 9 9 10 11 11 11 12 13 14 14 15 15 17 17 17 18 18 18 19 19 19 6 8 7 9 10 17 16 16 18 19 7 10 12 9 20 21 22 23 13 12 13 14 24 25 15 26 16 27 28 29 30 31 32 33 34 35 36 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 14 11 26 15 16 27 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 8.9561 8.9561 7.1962 3.732 2.866 8.0622 8.0622 9.8622 9.8622 7.1962 6.3301 7.1962 6.3301 5.4641 4.5981 3.732 6.3301 2 2.866 10.0712 10.473 10.473 10.0712 7.1962 5.7932 5.4641 4.5981 6.0201 5.7932 6.6401 2.31 1.4631 1.69 2.246 2.866 3.486 -0.7847 1.2847 -1.75 2.25 0.75 -0.25 0.75 -0.2708 0.7708 -0.75 0.75 1.25 -0.25 1.25 0.75 1.25 -2.25 1.25 -0.25 -0.8545 -0.1647 0.6647 1.3545 1.87 -0.56 1.87 0.13 -1.7131 -2.56 -2.7869 1.7869 1.56 0.7131 -0.25 -0.87 -0.25 8 8 8 8 8 8 1 6 6 7 10 11 11 14 7 10 12 13 12 13 15 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 342 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0723800000000000000000000000000000000000000344000000000000000910000001E00000000000C04A198063206830004008802215210008208002020000888000E88C80D272284311A823822A5C2150AA98780E01C0E20000108000040004000021000008000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-dimethyl-prop-2-enamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-dimethyl-2-propenamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-<I>N</I>,<I>N</I>-dimethylprop-2-enamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-dimethylprop-2-enamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-dimethyl-prop-2-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-dimethyl-acrylamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H17NO4/c1-15(2)13(16)5-4-10-8-11(17-3)14-12(9-10)18-6-7-19-14/h4-5,8-9H,6-7H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BJNILWWRXDBTBE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 263.11575802 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H17NO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 263.29 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)C(=O)C=CC1=CC2=C(C(=C1)OC)OCCO2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)C(=O)C=CC1=CC2=C(C(=C1)OC)OCCO2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 48 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 263.11575802 19 0 0 0 1 0 1 0 1 -1