Chemical ID: 3962880

Cc1ccccc1NC(=O)C(C(C)C)NC2CCCCC2
Chemical ID:
3962880
Name [?]:
2-cyclohexylamino-3-methyl-N-(o-tolyl)butanamide
SMILES [?]:
Cc1ccccc1NC(=O)C(C(C)C)NC2CCCCC2
InChi [?]:
InChI=1/C18H28N2O/c1-13(2)17(19-15-10-5-4-6-11-15)18(21)20-16-12-8-7-9-14(16)3/h7-9,12-13,15,17,19H,4-6,10-11H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:13,14,1,19,18,20,4,5,3,17,21,6,12,2,16,7,11,9,15,8,10/E:(1,2)(5,6)(10,11)/rA:21cCCCCCCCNCOCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s12;s11;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28N2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:10.7136
Area:504.477
Solvation:-1.89835
Coulombic:-32.0977
Bond Count [?]
All:22
Single:18
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:288.428
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.8
LogP (Chemaxon):3.69

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