Chemical ID: 7042529

CCCCc1ccc(cc1)NC(=O)C23CCC(C2)C(C3=O)(C)C
Chemical ID:
7042529
Name [?]:
N-(4-butylphenyl)-3,3-dimethyl-2-oxo-norbornane-1-carboxamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)C23CCC(C2)C(C3=O)(C)C
InChi [?]:
InChI=1/C20H27NO2/c1-4-5-6-14-7-9-16(10-8-14)21-18(23)20-12-11-15(13-20)19(2,3)17(20)22/h7-10,15H,4-6,11-13H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,22,23,2,3,4,6,10,7,9,16,15,18,5,17,8,20,12,19,14,11,21,13/E:(2,3)(7,8)(9,10)/rA:23cCCCCCCCCCCNCOCCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s14s17;s17;s14s19;d20;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27NO2
All Atoms:50
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:10.6423
Area:534.509
Solvation:-2.72042
Coulombic:-29.9399
Bond Count [?]
All:25
Single:20
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:313.434
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.28
LogP (Chemaxon):5.84

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