2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide

C21H28N2O2 — CID 97082046

IUPAC2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CC1=CCCCC1)NC[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H28N2O2/c24-20(13-18-9-5-2-6-10-18)22-15-19-14-21(25)23(16-19)12-11-17-7-3-1-4-8-17/h1,3-4,7-9,19H,2,5-6,10-16H2,(H,22,24)/t19-/m1/s1
InChIKeyFYXLOOISYLOHRE-LJQANCHMSA-N
MW340.47 g/mol
LogP3.08
Rot. Bonds7

About 2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide

2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 97082046) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID97082046
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CC1=CCCCC1)NC[C@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H28N2O2/c24-20(13-18-9-5-2-6-10-18)22-15-19-14-21(25)23(16-19)12-11-17-7-3-1-4-8-17/h1,3-4,7-9,19H,2,5-6,10-16H2,(H,22,24)/t19-/m1/s1
InChIKeyFYXLOOISYLOHRE-LJQANCHMSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640183
5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 167826538
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide
CID 110640189
2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640187
2-(4-methylphenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640198
1-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 96541027
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185261
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110737035
1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 110413373
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 91637034
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 99987745

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide (CID 97082046) is 2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide is O=C(CC1=CCCCC1)NC[C@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is FYXLOOISYLOHRE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N2O2/c24-20(13-18-9-5-2-6-10-18)22-15-19-14-21(25)23(16-19)12-11-17-7-3-1-4-8-17/h1,3-4,7-9,19H,2,5-6,10-16H2,(H,22,24)/t19-/m1/s1.
What are the key properties of 2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide?
2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 97082046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).