N-(3-methyloxiran-2-yl)butanamide

C7H13NO2 — CID 123843316

IUPACN-(3-methyloxiran-2-yl)butanamide
SMILESCCCC(=O)NC1OC1C
InChIInChI=1S/C7H13NO2/c1-3-4-6(9)8-7-5(2)10-7/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyZCZAUMZETSVKMP-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.65
Rot. Bonds3

About N-(3-methyloxiran-2-yl)butanamide

N-(3-methyloxiran-2-yl)butanamide (PubChem CID 123843316) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(3-methyloxiran-2-yl)butanamide.

Molecular Properties

Compound NameN-(3-methyloxiran-2-yl)butanamide
PubChem CID123843316
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(3-methyloxiran-2-yl)butanamide
SMILESCCCC(=O)NC1OC1C
InChIInChI=1S/C7H13NO2/c1-3-4-6(9)8-7-5(2)10-7/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyZCZAUMZETSVKMP-UHFFFAOYSA-N
XLogP0.65
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide
CID 76510956
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide
CID 57326091
N-[2-(butanoylamino)cyclopropyl]butanamide
CID 123475360
[3,4,5-triacetyloxy-6-(butanoylamino)oxan-2-yl]methyl acetate
CID 72826067
N-(2-methylcyclohexyl)butanamide
CID 47005567
N-(2,3-dimethylcyclopentyl)butanamide
CID 64922483
N-cyclooctylbutanamide
CID 4614062
N-[(2R,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 58852887
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 90352171
N-[(5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
CID 71235358
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-3-yl]butanamide
CID 91314025

Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxiran-2-yl)butanamide?
The IUPAC name of N-(3-methyloxiran-2-yl)butanamide (CID 123843316) is N-(3-methyloxiran-2-yl)butanamide.
What is the SMILES notation for N-(3-methyloxiran-2-yl)butanamide?
The canonical SMILES for N-(3-methyloxiran-2-yl)butanamide is CCCC(=O)NC1OC1C.
What is the InChIKey of N-(3-methyloxiran-2-yl)butanamide?
The InChIKey is ZCZAUMZETSVKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-6(9)8-7-5(2)10-7/h5,7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N-(3-methyloxiran-2-yl)butanamide?
N-(3-methyloxiran-2-yl)butanamide has a molecular weight of 143.19 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxiran-2-yl)butanamide is sourced from PubChem (CID 123843316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).