Chemical ID: 5892244

CCC(C)NC(=O)c1cc(ccc1N2CCCC2)NC(=O)C3CCCCC3
Chemical ID:
5892244
Name [?]:
5-cyclohexylcarbonylamino-2-pyrrolidin-1-yl-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)NC(=O)c1cc(ccc1N2CCCC2)NC(=O)C3CCCCC3
InChi [?]:
InChI=1/C22H33N3O2/c1-3-16(2)23-22(27)19-15-18(11-12-20(19)25-13-7-8-14-25)24-21(26)17-9-5-4-6-10-17/h11-12,15-17H,3-10,13-14H2,1-2H3,(H,23,27)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,4,2,25,24,26,16,17,23,27,11,12,15,18,9,3,22,10,8,13,20,6,5,19,14,21,7/E:(5,6)(7,8)(9,10)(13,14)/rA:27cCCCCNCOCCCCCCNCCCCNCOCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;s14;s15;s16;s14s17;s10;s19;d20;s20;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H33N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.7047
Area:610.211
Solvation:-3.55054
Coulombic:-47.961
Bond Count [?]
All:29
Single:24
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:371.516
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.55
LogP (Chemaxon):3.96

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Descriptor Annotations

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