N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide

C17H22N2O2 — CID 95985193

IUPACN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)N[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H22N2O2/c20-16(8-4-7-13-5-2-1-3-6-13)18-14-11-17(21)19(12-14)15-9-10-15/h1-3,5-6,14-15H,4,7-12H2,(H,18,20)/t14-/m0/s1
InChIKeyHLYDWJJBSISULA-AWEZNQCLSA-N
MW286.37 g/mol
LogP1.89
Rot. Bonds6

About N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide

N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide (PubChem CID 95985193) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
PubChem CID95985193
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)N[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H22N2O2/c20-16(8-4-7-13-5-2-1-3-6-13)18-14-11-17(21)19(12-14)15-9-10-15/h1-3,5-6,14-15H,4,7-12H2,(H,18,20)/t14-/m0/s1
InChIKeyHLYDWJJBSISULA-AWEZNQCLSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide
CID 120610888
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 7255054
3-amino-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide;hydrochloride
CID 119327016
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide
CID 110719748
benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
CID 124505476
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
CID 110719746
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 7563275
methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
CID 42378459
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 95968751
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide
CID 75482244

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide (CID 95985193) is N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide is O=C(CCCc1ccccc1)N[C@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide?
The InChIKey is HLYDWJJBSISULA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16(8-4-7-13-5-2-1-3-6-13)18-14-11-17(21)19(12-14)15-9-10-15/h1-3,5-6,14-15H,4,7-12H2,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide?
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide has a molecular weight of 286.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 95985193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).