Chemical ID: 6632767

CCCCOc1ccc(cc1)C(=O)NCC(=O)NN=C(C)C=Cc2ccccc2
Chemical ID:
6632767
Name [?]:
4-butoxy-N-[(1-methyl-3-phenyl-prop-2-enylidene)aminocarbamoylmethyl]benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)NCC(=O)NN=C(C)C=Cc2ccccc2
InChi [?]:
InChI=1/C23H27N3O3/c1-3-4-16-29-21-14-12-20(13-15-21)23(28)24-17-22(27)26-25-18(2)10-11-19-8-6-5-7-9-19/h5-15H,3-4,16-17H2,1-2H3,(H,24,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,21,2,3,27,26,28,25,29,22,23,8,10,7,11,4,15,20,24,9,6,16,12,14,19,18,17,13,5/E:(6,7)(8,9)(12,13)(14,15)/rA:29nCCCCOCCCCCCCONCCONNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;w19;s20;s20;w22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27N3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.9445
Area:647.309
Solvation:-5.23823
Coulombic:-48.7996
Bond Count [?]
All:30
Single:20
Double:10
Rotors:12
Chiral:2
Rigid Segments:9
Chemical Properties
Molecular Weight:393.479
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.85
LogP (Chemaxon):4.1

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Descriptor Annotations

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