Chemical ID: 7471672

CC(=O)NC(=Cc1ccc(c(c1)OC)OC)C(=O)N(C)Cc2ccccc2
Chemical ID:
7471672
Name [?]:
2-acetamido-N-benzyl-3-(3,4-dimethoxyphenyl)-N-methyl-prop-2-enamide
SMILES [?]:
CC(=O)NC(=Cc1ccc(c(c1)OC)OC)C(=O)N(C)Cc2ccccc2
InChi [?]:
InChI=1/C21H24N2O4/c1-15(24)22-18(12-17-10-11-19(26-3)20(13-17)27-4)21(25)23(2)14-16-8-6-5-7-9-16/h5-13H,14H2,1-4H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,20,16,14,25,24,26,23,27,8,9,6,12,21,2,22,7,5,10,11,17,4,19,3,18,15,13/E:(6,7)(8,9)/rA:27nCCONCCCCCCCCOCOCCONCCCCCCCC/rB:s1;d2;s2;s4;w5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;s5;d17;s17;s19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2O4
All Atoms:51
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.96483
Area:583.68
Solvation:-7.62717
Coulombic:-51.1649
Bond Count [?]
All:28
Single:19
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:368.426
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.69
LogP (Chemaxon):1.84

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Descriptor Annotations

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