Chemical ID: 6901376

CCCCOc1ccccc1NC(=O)C=Cc2ccc(c(c2)OC)OCCC
Chemical ID:
6901376
Name [?]:
N-(2-butoxyphenyl)-3-(3-methoxy-4-propoxy-phenyl)-prop-2-enamide
SMILES [?]:
CCCCOc1ccccc1NC(=O)C=Cc2ccc(c(c2)OC)OCCC
InChi [?]:
InChI=1/C23H29NO4/c1-4-6-16-28-20-10-8-7-9-19(20)24-23(25)14-12-18-11-13-21(27-15-5-2)22(17-18)26-3/h7-14,17H,4-6,15-16H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,24,2,27,3,9,8,10,7,18,16,19,15,26,4,22,17,11,6,20,21,13,12,14,23,25,5/rA:28nCCCCOCCCCCCNCOCCCCCCCCOCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29NO4
All Atoms:57
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.0977
Area:649.421
Solvation:-6.13782
Coulombic:-45.3114
Bond Count [?]
All:29
Single:21
Double:8
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:383.481
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.87
LogP (Chemaxon):4.95

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Descriptor Annotations

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