Chemical ID: 6399144

CC(C)CC(=O)Nc1ccc(cc1)C(=O)N
Chemical ID:
6399144
Name [?]:
4-(3-methylbutanoylamino)benzamide
SMILES [?]:
CC(C)CC(=O)Nc1ccc(cc1)C(=O)N
InChi [?]:
InChI=1/C12H16N2O2/c1-8(2)7-11(15)14-10-5-3-9(4-6-10)12(13)16/h3-6,8H,7H2,1-2H3,(H2,13,16)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,10,12,9,13,4,2,11,8,5,14,16,7,6,15/E:(1,2)(3,4)(5,6)/rA:16nCCCCCONCCCCCCCON/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.56443
Area:414.727
Solvation:-2.80375
Coulombic:-46.0864
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:220.268
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.49
LogP (Chemaxon):1.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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