Chemical ID: 6003848

CCCCN(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C(=O)CC(C)CC(C)(C)C
Chemical ID:
6003848
Name [?]:
N-butyl-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]-3,5,5-trimethyl-hexanamide
SMILES [?]:
CCCCN(CC(=O)NCC(=O)Nc1ccc(cc1)OC)C(=O)CC(C)CC(C)(C)C
InChi [?]:
InChI=1/C24H39N3O4/c1-7-8-13-27(23(30)14-18(2)15-24(3,4)5)17-22(29)25-16-21(28)26-19-9-11-20(31-6)12-10-19/h9-12,18H,7-8,13-17H2,1-6H3,(H,25,29)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,26,29,30,31,21,2,3,15,19,16,18,4,24,27,10,6,25,14,17,11,7,22,28,9,13,5,12,8,23,20/E:(3,4,5)(9,10)(11,12)/rA:31cCCCCNCCONCCONCCCCCCOCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s5;d22;s22;s24;s25;s25;s27;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H39N3O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.9596
Area:735.931
Solvation:-5.43869
Coulombic:-65.5421
Bond Count [?]
All:31
Single:25
Double:6
Rotors:16
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:433.584
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.61
LogP (Chemaxon):3.33

Name Annotations

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Descriptor Annotations

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