Chemical ID: 5891807

CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)Cc3ccc(cc3)OC
Chemical ID:
5891807
Name [?]:
5-[2-(4-methoxyphenyl)acetyl]amino-2-(1-piperidyl)-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1N2CCCCC2)NC(=O)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C25H33N3O3/c1-4-18(2)26-25(30)22-17-20(10-13-23(22)28-14-6-5-7-15-28)27-24(29)16-19-8-11-21(31-3)12-9-19/h8-13,17-18H,4-7,14-16H2,1-3H3,(H,26,30)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,4,31,2,17,16,18,25,29,11,26,28,12,15,19,23,9,3,24,10,27,8,13,21,6,5,20,14,22,7,30/E:(6,7)(8,9)(11,12)(14,15)/rA:31cCCCCNCOCCCCCCNCCCCCNCOCCCCCCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s17;s14s18;s10;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H33N3O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.3673
Area:683.347
Solvation:-5.71642
Coulombic:-54.3201
Bond Count [?]
All:33
Single:25
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:423.548
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.44
LogP (Chemaxon):4.07

Name Annotations

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Descriptor Annotations

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