(2R)-N,2-dimethylbutanamide

C6H13NO — CID 59978118

IUPAC(2R)-N,2-dimethylbutanamide
SMILESCC[C@@H](C)C(=O)NC
InChIInChI=1S/C6H13NO/c1-4-5(2)6(8)7-3/h5H,4H2,1-3H3,(H,7,8)/t5-/m1/s1
InChIKeyISFCRWPZUSUIJP-RXMQYKEDSA-N
MW115.18 g/mol
LogP0.78
Rot. Bonds2

About (2R)-N,2-dimethylbutanamide

(2R)-N,2-dimethylbutanamide (PubChem CID 59978118) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (2R)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-N,2-dimethylbutanamide
PubChem CID59978118
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(2R)-N,2-dimethylbutanamide
SMILESCC[C@@H](C)C(=O)NC
InChIInChI=1S/C6H13NO/c1-4-5(2)6(8)7-3/h5H,4H2,1-3H3,(H,7,8)/t5-/m1/s1
InChIKeyISFCRWPZUSUIJP-RXMQYKEDSA-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 (2R)-N,2-dimethylbutanamide?
The IUPAC name of (2R)-N,2-dimethylbutanamide (CID 59978118) is (2R)-N,2-dimethylbutanamide.
What is the SMILES notation for (2R)-N,2-dimethylbutanamide?
The canonical SMILES for (2R)-N,2-dimethylbutanamide is CC[C@@H](C)C(=O)NC.
What is the InChIKey of (2R)-N,2-dimethylbutanamide?
The InChIKey is ISFCRWPZUSUIJP-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-5(2)6(8)7-3/h5H,4H2,1-3H3,(H,7,8)/t5-/m1/s1.
What are the key properties of (2R)-N,2-dimethylbutanamide?
(2R)-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 (2R)-N,2-dimethylbutanamide is sourced from PubChem (CID 59978118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).