N,3-dimethylbutanamide

C6H13NO — CID 528604

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

About N,3-dimethylbutanamide

N,3-dimethylbutanamide (PubChem CID 528604) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N,3-dimethylbutanamide.

Molecular Properties

Compound NameN,3-dimethylbutanamide
PubChem CID528604
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN,3-dimethylbutanamide
SMILESCNC(=O)CC(C)C
InChIInChI=1S/C6H13NO/c1-5(2)4-6(8)7-3/h5H,4H2,1-3H3,(H,7,8)
InChIKeyGFWZPTGIVKRQNM-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,3-dimethylbutanamide?
The IUPAC name of N,3-dimethylbutanamide (CID 528604) is N,3-dimethylbutanamide.
What is the SMILES notation for N,3-dimethylbutanamide?
The canonical SMILES for N,3-dimethylbutanamide is CNC(=O)CC(C)C.
What is the InChIKey of N,3-dimethylbutanamide?
The InChIKey is GFWZPTGIVKRQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)4-6(8)7-3/h5H,4H2,1-3H3,(H,7,8).
What are the key properties of N,3-dimethylbutanamide?
N,3-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,3-dimethylbutanamide is sourced from PubChem (CID 528604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).