Chemical ID: 6006825

CCCCC(CC)C(=O)N(Cc1ccccc1)CC(=O)NCC(=O)Nc2ccc(cc2)OC
Chemical ID:
6006825
Name [?]:
N-benzyl-2-ethyl-N-[(4-methoxyphenyl)carbamoylmethylcarbamoylmethyl]hexanamide
SMILES [?]:
CCCCC(CC)C(=O)N(Cc1ccccc1)CC(=O)NCC(=O)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C26H35N3O4/c1-4-6-12-21(5-2)26(32)29(18-20-10-8-7-9-11-20)19-25(31)27-17-24(30)28-22-13-15-23(33-3)16-14-22/h7-11,13-16,21H,4-6,12,17-19H2,1-3H3,(H,27,31)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,7,33,2,6,3,15,14,16,13,17,4,27,31,28,30,22,11,18,12,5,26,29,23,19,8,21,25,10,24,20,9,32/E:(8,9)(10,11)(13,14)(15,16)/rA:33cCCCCCCCCONCCCCCCCCCONCCONCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s10;s18;d19;s19;s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H35N3O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.8293
Area:741.962
Solvation:-5.71978
Coulombic:-66.6167
Bond Count [?]
All:34
Single:25
Double:9
Rotors:16
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:453.574
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.21
LogP (Chemaxon):3.77

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