Chemical ID: 6003849

CCCCC(CC)C(=O)N(CCCC)CC(=O)NCC(=O)Nc1ccc(cc1)OC
Chemical ID:
6003849
Name [?]:
N-butyl-2-ethyl-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]hexanamide
SMILES [?]:
CCCCC(CC)C(=O)N(CCCC)CC(=O)NCC(=O)Nc1ccc(cc1)OC
InChi [?]:
InChI=1/C23H37N3O4/c1-5-8-10-18(7-3)23(29)26(15-9-6-2)17-22(28)24-16-21(27)25-19-11-13-20(30-4)14-12-19/h11-14,18H,5-10,15-17H2,1-4H3,(H,24,28)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,14,7,30,2,13,6,3,12,4,24,28,25,27,11,19,15,5,23,26,20,16,8,18,22,10,21,17,9,29/E:(11,12)(13,14)/rA:30cCCCCCCCCONCCCCCCONCCONCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s13;s10;s15;d16;s16;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H37N3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.4963
Area:721.656
Solvation:-5.54514
Coulombic:-65.475
Bond Count [?]
All:30
Single:24
Double:6
Rotors:17
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:419.558
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.85
LogP (Chemaxon):3.2

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue