Chemical ID: 4536686

CC(C)CC(=O)Nc1ccccc1
Chemical ID:
4536686
Name [?]:
3-methyl-N-phenyl-butanamide
SMILES [?]:
CC(C)CC(=O)Nc1ccccc1
InChi [?]:
InChI=1/C11H15NO/c1-9(2)8-11(13)12-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,11,10,12,9,13,4,2,8,5,7,6/E:(1,2)(4,5)(6,7)/rA:13nCCCCCONCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.27269
Area:360.725
Solvation:-1.74544
Coulombic:-21.346
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:177.243
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.61
LogP (Chemaxon):2.73

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