Chemical ID: 6594805

CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)N(C)C2CCCCC2
Chemical ID:
6594805
Name [?]:
(cyclohexyl-methyl-carbamoyl)methyl 4-acetamidobenzoate
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)N(C)C2CCCCC2
InChi [?]:
InChI=1/C18H24N2O4/c1-13(21)19-15-10-8-14(9-11-15)18(23)24-12-17(22)20(2)16-6-4-3-5-7-16/h8-11,16H,3-7,12H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,18,22,21,23,20,24,7,9,6,10,14,2,8,5,19,15,11,4,17,3,16,12,13/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCONCCCCCCCOOCCONCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s17;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.0306
Area:568.437
Solvation:-4.18033
Coulombic:-55.7409
Bond Count [?]
All:25
Single:19
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:332.394
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.35
LogP (Chemaxon):1.67

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