1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide

C20H28N2O2 — CID 3244764

IUPAC1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C20H28N2O2/c23-19-14-17(15-22(19)18-10-6-1-2-7-11-18)20(24)21-13-12-16-8-4-3-5-9-16/h3-5,8-9,17-18H,1-2,6-7,10-15H2,(H,21,24)
InChIKeyQEOGXRCMLZGMLN-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.92
Rot. Bonds5

About 1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide

1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 3244764) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID3244764
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C20H28N2O2/c23-19-14-17(15-22(19)18-10-6-1-2-7-11-18)20(24)21-13-12-16-8-4-3-5-9-16/h3-5,8-9,17-18H,1-2,6-7,10-15H2,(H,21,24)
InChIKeyQEOGXRCMLZGMLN-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Nebracetam
CID 65926
5-Benzylpyrrolidin-2-One
CID 99881
Smac peptido-mimetic 6h
CID 11176734
3-[2-(2-Cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-phenethylpropionamide
CID 11566106
Cyclohexanecarboxylic acid ((S)-1-phenethyl-pyrrolidin-2-ylmethyl)-amide
CID 10087023
N-[2-(2-chlorophenyl)ethyl](1-cyclohexyl-5-oxopyrrolidin-3-yl)carboxamide
CID 2926616
1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16307848
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
2-(S)-Amino-4-phenethylamino-1-piperidin-1-yl-butan-1-one
CID 11437726
1-(2-Phenylethyl)-3-[(2-phenylethyl)amino]pyrrolidine-2,5-dione
CID 2853912
N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 3663590
1-cyclopentyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 5090685

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 3244764) is 1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide is O=C(NCCc1ccccc1)C1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is QEOGXRCMLZGMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19-14-17(15-22(19)18-10-6-1-2-7-11-18)20(24)21-13-12-16-8-4-3-5-9-16/h3-5,8-9,17-18H,1-2,6-7,10-15H2,(H,21,24).
What are the key properties of 1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 3244764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).