Chemical ID: 7264065

CC(C)CNC(=O)c1ccc(cc1)N(C)C
Chemical ID:
7264065
Name [?]:
4-dimethylamino-N-isobutyl-benzamide
SMILES [?]:
CC(C)CNC(=O)c1ccc(cc1)N(C)C
InChi [?]:
InChI=1/C13H20N2O/c1-10(2)9-14-13(16)11-5-7-12(8-6-11)15(3)4/h5-8,10H,9H2,1-4H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,9,13,10,12,4,2,8,11,6,5,14,7/E:(1,2)(3,4)(5,6)(7,8)/rA:16nCCCCNCOCCCCCCNCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2O
All Atoms:36
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.90196
Area:433.392
Solvation:-1.93283
Coulombic:-29.3019
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:220.311
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.71
LogP (Chemaxon):2.42

Name Annotations

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Descriptor Annotations

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