N,2-dimethylbutanamide

C6H13NO — CID 4626972

IUPACN,2-dimethylbutanamide
SMILESCCC(C)C(=O)NC
InChIInChI=1S/C6H13NO/c1-4-5(2)6(8)7-3/h5H,4H2,1-3H3,(H,7,8)
InChIKeyISFCRWPZUSUIJP-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.78
Rot. Bonds2

About N,2-dimethylbutanamide

N,2-dimethylbutanamide (PubChem CID 4626972) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N,2-dimethylbutanamide.

Molecular Properties

Compound NameN,2-dimethylbutanamide
PubChem CID4626972
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN,2-dimethylbutanamide
SMILESCCC(C)C(=O)NC
InChIInChI=1S/C6H13NO/c1-4-5(2)6(8)7-3/h5H,4H2,1-3H3,(H,7,8)
InChIKeyISFCRWPZUSUIJP-UHFFFAOYSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethylbutanamide?
The IUPAC name of N,2-dimethylbutanamide (CID 4626972) is N,2-dimethylbutanamide.
What is the SMILES notation for N,2-dimethylbutanamide?
The canonical SMILES for N,2-dimethylbutanamide is CCC(C)C(=O)NC.
What is the InChIKey of N,2-dimethylbutanamide?
The InChIKey is ISFCRWPZUSUIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-5(2)6(8)7-3/h5H,4H2,1-3H3,(H,7,8).
What are the key properties of N,2-dimethylbutanamide?
N,2-dimethylbutanamide has a molecular weight of 115.18 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylbutanamide is sourced from PubChem (CID 4626972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).