Chemical ID: 4278678

Cc1cccc(c1)C(=O)N(C(C)C)C(C)C
Chemical ID:
4278678
Name [?]:
N,N-diisopropyl-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)N(C(C)C)C(C)C
InChi [?]:
InChI=1/C14H21NO/c1-10(2)15(11(3)4)14(16)13-8-6-7-12(5)9-13/h6-11H,1-5H3
InChi Info:
AuxInfo=1/0/N:12,13,15,16,1,4,3,5,7,11,14,2,6,8,10,9/E:(1,2,3,4)(10,11)/rA:16nCCCCCCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s11;s10;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.54642
Area:404.428
Solvation:-1.56428
Coulombic:-19.1068
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.323
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.77
LogP (Chemaxon):3.17

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