Chemical ID: 6934533

CCC(C)C(=O)NC
Chemical ID:
6934533
Name [?]:
N,2-dimethylbutanamide
SMILES [?]:
CCC(C)C(=O)NC
InChi [?]:
InChI=1/C6H13NO/c1-4-5(2)6(8)7-3/h5H,4H2,1-3H3,(H,7,8)
InChi Info:
AuxInfo=1/1/N:1,4,8,2,3,5,7,6/rA:8cCCCCCONC/rB:s1;s2;s3;s3;d5;s5;s7;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C6H13NO
All Atoms:21
Heavy Atoms:8
Chiral Atoms:1
ZAP Information [?]
Total:5.59888
Area:281.504
Solvation:-1.43873
Coulombic:-20.9563
Bond Count [?]
All:7
Single:6
Double:1
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:115.174
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.83
LogP (Chemaxon):0.8

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Experimental Annotations

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Descriptor Annotations

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