Chemical ID: 4551146

CCCCC(=O)N(Cc1ccc(c(c1)OC)OCC(=O)N)C2CCCCC2
Chemical ID:
4551146
Name [?]:
N-[[4-(carbamoylmethoxy)-3-methoxy-phenyl]methyl]-N-cyclohexyl-pentanamide
SMILES [?]:
CCCCC(=O)N(Cc1ccc(c(c1)OC)OCC(=O)N)C2CCCCC2
InChi [?]:
InChI=1/C21H32N2O4/c1-3-4-10-21(25)23(17-8-6-5-7-9-17)14-16-11-12-18(19(13-16)26-2)27-15-20(22)24/h11-13,17H,3-10,14-15H2,1-2H3,(H2,22,24)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,25,24,26,23,27,4,10,11,14,8,18,9,22,12,13,19,5,21,7,20,6,15,17/E:(6,7)(8,9)/rA:27nCCCCCONCCCCCCCOCOCCONCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s18;d19;s19;s7;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H32N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.86933
Area:618.094
Solvation:-7.58302
Coulombic:-54.9172
Bond Count [?]
All:28
Single:23
Double:5
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:376.49
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.0
LogP (Chemaxon):2.41

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