N-butan-2-ylpropanamide

C7H15NO — CID 4548383

IUPACN-butan-2-ylpropanamide
SMILESCCC(=O)NC(C)CC
InChIInChI=1S/C7H15NO/c1-4-6(3)8-7(9)5-2/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyYWXTWKJVVCXINH-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.31
Rot. Bonds3

About N-butan-2-ylpropanamide

N-butan-2-ylpropanamide (PubChem CID 4548383) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-butan-2-ylpropanamide.

Molecular Properties

Compound NameN-butan-2-ylpropanamide
PubChem CID4548383
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-butan-2-ylpropanamide
SMILESCCC(=O)NC(C)CC
InChIInChI=1S/C7H15NO/c1-4-6(3)8-7(9)5-2/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyYWXTWKJVVCXINH-UHFFFAOYSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylpropanamide?
The IUPAC name of N-butan-2-ylpropanamide (CID 4548383) is N-butan-2-ylpropanamide.
What is the SMILES notation for N-butan-2-ylpropanamide?
The canonical SMILES for N-butan-2-ylpropanamide is CCC(=O)NC(C)CC.
What is the InChIKey of N-butan-2-ylpropanamide?
The InChIKey is YWXTWKJVVCXINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-6(3)8-7(9)5-2/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of N-butan-2-ylpropanamide?
N-butan-2-ylpropanamide has a molecular weight of 129.20 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylpropanamide is sourced from PubChem (CID 4548383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).