3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide

C13H24N2O2 — CID 110737177

IUPAC3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
SMILESCC(C)CC(=O)NCC1CC(=O)N(C(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-9(2)5-12(16)14-7-11-6-13(17)15(8-11)10(3)4/h9-11H,5-8H2,1-4H3,(H,14,16)
InChIKeyFYXJZXBPOVFCAK-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.41
Rot. Bonds5

About 3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide

3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide (PubChem CID 110737177) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
PubChem CID110737177
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
SMILESCC(C)CC(=O)NCC1CC(=O)N(C(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-9(2)5-12(16)14-7-11-6-13(17)15(8-11)10(3)4/h9-11H,5-8H2,1-4H3,(H,14,16)
InChIKeyFYXJZXBPOVFCAK-UHFFFAOYSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110737209
N-[2-(3-methylbutanoylamino)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108538490
N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 110737220
3-(2-methoxyphenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110737240
3-(3-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110737248
1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 110749341
2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 136756324
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
(2R)-2-[4-[[(2-bromoacetyl)amino]methyl]-2-oxopyrrolidin-1-yl]butanamide
CID 59400524
2-methoxy-6-methyl-N-[[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]methyl]benzamide
CID 125163766
2-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide
CID 91768311
N-methyl-N'-[[5-oxo-1-[(3R)-2-oxopentan-3-yl]pyrrolidin-3-yl]methyl]butanediamide
CID 163470900

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide?
The IUPAC name of 3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide (CID 110737177) is 3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide?
The canonical SMILES for 3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide is CC(C)CC(=O)NCC1CC(=O)N(C(C)C)C1.
What is the InChIKey of 3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide?
The InChIKey is FYXJZXBPOVFCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)5-12(16)14-7-11-6-13(17)15(8-11)10(3)4/h9-11H,5-8H2,1-4H3,(H,14,16).
What are the key properties of 3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide?
3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide has a molecular weight of 240.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide is sourced from PubChem (CID 110737177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).