2-(methylamino)-N-(1-oxobutan-2-yl)propanamide

C8H16N2O2 — CID 54000385

IUPAC2-(methylamino)-N-(1-oxobutan-2-yl)propanamide
SMILESCCC(C=O)NC(=O)C(C)NC
InChIInChI=1S/C8H16N2O2/c1-4-7(5-11)10-8(12)6(2)9-3/h5-7,9H,4H2,1-3H3,(H,10,12)
InChIKeyKLDQVXQEQFGLAR-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.31
Rot. Bonds5

About 2-(methylamino)-N-(1-oxobutan-2-yl)propanamide

2-(methylamino)-N-(1-oxobutan-2-yl)propanamide (PubChem CID 54000385) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(methylamino)-N-(1-oxobutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1-oxobutan-2-yl)propanamide
PubChem CID54000385
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(methylamino)-N-(1-oxobutan-2-yl)propanamide
SMILESCCC(C=O)NC(=O)C(C)NC
InChIInChI=1S/C8H16N2O2/c1-4-7(5-11)10-8(12)6(2)9-3/h5-7,9H,4H2,1-3H3,(H,10,12)
InChIKeyKLDQVXQEQFGLAR-UHFFFAOYSA-N
XLogP-0.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1-oxobutan-2-yl)propanamide?
The IUPAC name of 2-(methylamino)-N-(1-oxobutan-2-yl)propanamide (CID 54000385) is 2-(methylamino)-N-(1-oxobutan-2-yl)propanamide.
What is the SMILES notation for 2-(methylamino)-N-(1-oxobutan-2-yl)propanamide?
The canonical SMILES for 2-(methylamino)-N-(1-oxobutan-2-yl)propanamide is CCC(C=O)NC(=O)C(C)NC.
What is the InChIKey of 2-(methylamino)-N-(1-oxobutan-2-yl)propanamide?
The InChIKey is KLDQVXQEQFGLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-4-7(5-11)10-8(12)6(2)9-3/h5-7,9H,4H2,1-3H3,(H,10,12).
What are the key properties of 2-(methylamino)-N-(1-oxobutan-2-yl)propanamide?
2-(methylamino)-N-(1-oxobutan-2-yl)propanamide has a molecular weight of 172.23 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1-oxobutan-2-yl)propanamide is sourced from PubChem (CID 54000385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).