Chemical ID: 6393412

CC=CC(=O)Nc1ccc(cc1)C(C)C
Chemical ID:
6393412
Name [?]:
N-(4-isopropylphenyl)but-2-enamide
SMILES [?]:
CC=CC(=O)Nc1ccc(cc1)C(C)C
InChi [?]:
InChI=1/C13H17NO/c1-4-5-13(15)14-12-8-6-11(7-9-12)10(2)3/h4-10H,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,15,2,3,9,11,8,12,13,10,7,4,6,5/E:(2,3)(6,7)(8,9)/rA:15nCCCCONCCCCCCCCC/rB:s1;w2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.35549
Area:399.7
Solvation:-1.63701
Coulombic:-22.9966
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:203.28
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.5
LogP (Chemaxon):3.67

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