Chemical ID: 6877356

CC(C)COC(=O)c1ccc(cc1)NC(=O)C=Cc2ccc(c(c2)OC)OC(C)C
Chemical ID:
6877356
Name [?]:
isobutyl 4-[3-(4-isopropoxy-3-methoxy-phenyl)prop-2-enoylamino]benzoate
SMILES [?]:
CC(C)COC(=O)c1ccc(cc1)NC(=O)C=Cc2ccc(c(c2)OC)OC(C)C
InChi [?]:
InChI=1/C24H29NO5/c1-16(2)15-29-24(27)19-8-10-20(11-9-19)25-23(26)13-7-18-6-12-21(30-17(3)4)22(14-18)28-5/h6-14,16-17H,15H2,1-5H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,29,30,26,20,18,9,13,10,12,21,17,24,4,2,28,19,8,11,22,23,15,6,14,16,7,25,5,27/E:(1,2)(3,4)(8,9)(10,11)/rA:30nCCCCOCOCCCCCCNCOCCCCCCCCOCOCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29NO5
All Atoms:59
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.7518
Area:676.221
Solvation:-6.15372
Coulombic:-56.4315
Bond Count [?]
All:31
Single:22
Double:9
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:411.491
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.72
LogP (Chemaxon):4.7

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Descriptor Annotations

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