Chemical ID: 7053735

CC(C)c1ccc(cc1)NC(=O)C23CCC(C2(C)C)(C(=NO)C3=O)C
Chemical ID:
7053735
Name [?]:
3-hydroxyimino-N-(4-isopropylphenyl)-4,7,7-trimethyl-2-oxo-norbornane-1-carboxamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)C23CCC(C2(C)C)(C(=NO)C3=O)C
InChi [?]:
InChI=1/C20H26N2O3/c1-12(2)13-6-8-14(9-7-13)21-17(24)20-11-10-19(5,18(20,3)4)15(22-25)16(20)23/h6-9,12,25H,10-11H2,1-5H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,3,18,19,25,5,9,6,8,15,14,2,4,7,20,23,11,17,16,13,10,21,24,12,22/E:(1,2)(3,4)(6,7)(8,9)/rA:25cCCCCCCCCCNCOCCCCCCCCNOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s13s16;s17;s17;s16;w20;s21;s13s20;d23;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N2O3
All Atoms:51
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:10.2187
Area:539.315
Solvation:-3.26416
Coulombic:-42.6883
Bond Count [?]
All:27
Single:21
Double:6
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:342.432
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.71
LogP (Chemaxon):5.85

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