Chemical ID: 4104991

CC(C)CCOC(=O)c1ccc(cc1)NC(=O)C=Cc2ccc(c(c2)OC)OC
Chemical ID:
4104991
Name [?]:
isopentyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]benzoate
SMILES [?]:
CC(C)CCOC(=O)c1ccc(cc1)NC(=O)C=Cc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C23H27NO5/c1-16(2)13-14-29-23(26)18-7-9-19(10-8-18)24-22(25)12-6-17-5-11-20(27-3)21(15-17)28-4/h5-12,15-16H,13-14H2,1-4H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,29,27,21,19,10,14,11,13,22,18,4,5,25,2,20,9,12,23,24,16,7,15,17,8,28,26,6/E:(1,2)(7,8)(9,10)/rA:29nCCCCCOCOCCCCCCNCOCCCCCCCCOCOC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27NO5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.1142
Area:659.054
Solvation:-6.36214
Coulombic:-56.2153
Bond Count [?]
All:30
Single:21
Double:9
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:397.464
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.62
LogP (Chemaxon):4.27

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Descriptor Annotations

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