Chemical ID: 6631988

CCCCOc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(cc2)C
Chemical ID:
6631988
Name [?]:
4-butoxy-N-(p-tolylmethyleneaminocarbamoylmethyl)benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(cc2)C
InChi [?]:
InChI=1/C21H25N3O3/c1-3-4-13-27-19-11-9-18(10-12-19)21(26)22-15-20(25)24-23-14-17-7-5-16(2)6-8-17/h5-12,14H,3-4,13,15H2,1-2H3,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,2,3,23,25,22,26,8,10,7,11,4,20,15,24,21,9,6,16,12,14,19,18,17,13,5/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCCOCCCCCCCONCCONNCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.1298
Area:646.736
Solvation:-5.03857
Coulombic:-49.1745
Bond Count [?]
All:28
Single:19
Double:9
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:367.442
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.87
LogP (Chemaxon):3.59

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