Chemical ID: 6948406

CCC(C)c1ccccc1NC(=O)C
Chemical ID:
6948406
Name [?]:
N-(2-sec-butylphenyl)acetamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)C
InChi [?]:
InChI=1/C12H17NO/c1-4-9(2)11-7-5-6-8-12(11)13-10(3)14/h5-9H,4H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,14,2,7,8,6,9,3,12,5,10,11,13/rA:14cCCCCCCCCCCNCOC/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO
All Atoms:31
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.68553
Area:380.989
Solvation:-1.8392
Coulombic:-20.9475
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:191.27
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.04
LogP (Chemaxon):2.31

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