Chemical ID: 6343036

CC(C)c1ccc(cc1)C(=O)N(C(C)C)C(C)C
Chemical ID:
6343036
Name [?]:
N,N,4-triisopropylbenzamide
SMILES [?]:
CC(C)c1ccc(cc1)C(=O)N(C(C)C)C(C)C
InChi [?]:
InChI=1/C16H25NO/c1-11(2)14-7-9-15(10-8-14)16(18)17(12(3)4)13(5)6/h7-13H,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,17,18,5,9,6,8,2,13,16,4,7,10,12,11/E:(1,2)(3,4,5,6)(7,8)(9,10)(12,13)/rA:18nCCCCCCCCCCONCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s13;s12;s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.709
Area:451.09
Solvation:-1.56824
Coulombic:-19.7284
Bond Count [?]
All:18
Single:14
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:247.376
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.74
LogP (Chemaxon):3.9

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