Chemical ID: 6006686

CCCCN(CC(=O)NCC(=O)Nc1ccc(cc1)C)C(=O)CCC2CCCC2
Chemical ID:
6006686
Name [?]:
N-butyl-3-cyclopentyl-N-(p-tolylcarbamoylmethylcarbamoylmethyl)propanamide
SMILES [?]:
CCCCN(CC(=O)NCC(=O)Nc1ccc(cc1)C)C(=O)CCC2CCCC2
InChi [?]:
InChI=1/C23H35N3O3/c1-3-4-15-26(23(29)14-11-19-7-5-6-8-19)17-22(28)24-16-21(27)25-20-12-9-18(2)10-13-20/h9-10,12-13,19H,3-8,11,14-17H2,1-2H3,(H,24,28)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,20,2,3,27,28,26,29,16,18,24,15,19,23,4,10,6,17,25,14,11,7,21,9,13,5,12,8,22/E:(5,6)(7,8)(9,10)(12,13)/rA:29nCCCCNCCONCCONCCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s5;d21;s21;s23;s24;s25;s26;s27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H35N3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.3282
Area:701.215
Solvation:-4.20219
Coulombic:-58.5145
Bond Count [?]
All:30
Single:24
Double:6
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:401.542
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.25
LogP (Chemaxon):3.18

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Descriptor Annotations

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