Chemical ID: 4509881

Cc1ccc(cc1)C(=O)NC(C)(C)CO
Chemical ID:
4509881
Name [?]:
N-(2-hydroxy-1,1-dimethyl-ethyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NC(C)(C)CO
InChi [?]:
InChI=1/C12H17NO2/c1-9-4-6-10(7-5-9)11(15)13-12(2,3)8-14/h4-7,14H,8H2,1-3H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,12,13,3,7,4,6,14,2,5,8,11,10,15,9/E:(2,3)(4,5)(6,7)/rA:15nCCCCCCCCONCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s11;s11;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.26729
Area:394.252
Solvation:-2.58902
Coulombic:-39.8284
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:207.269
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.03
LogP (Chemaxon):1.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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