N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide

C17H22N2O2 — CID 45195311

IUPACN-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESO=C(NC1CC(=O)N(CCc2ccccc2)C1)C1CCC1
InChIInChI=1S/C17H22N2O2/c20-16-11-15(18-17(21)14-7-4-8-14)12-19(16)10-9-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,18,21)
InChIKeySIFJJSCHUKDGIP-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.75
Rot. Bonds5

About N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide

N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide (PubChem CID 45195311) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
PubChem CID45195311
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESO=C(NC1CC(=O)N(CCc2ccccc2)C1)C1CCC1
InChIInChI=1S/C17H22N2O2/c20-16-11-15(18-17(21)14-7-4-8-14)12-19(16)10-9-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,18,21)
InChIKeySIFJJSCHUKDGIP-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 26329415
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
N-(1-benzylpiperidin-4-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53181864
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide
CID 45221745
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 25383408
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclopentanecarboxamide
CID 45202640
N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
CID 25282898
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480
N-cyclopentyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497409
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide
CID 45189442
(3S)-5-oxo-1-(2-phenylethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 7919696
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 42381458

Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide (CID 45195311) is N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide is O=C(NC1CC(=O)N(CCc2ccccc2)C1)C1CCC1.
What is the InChIKey of N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide?
The InChIKey is SIFJJSCHUKDGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16-11-15(18-17(21)14-7-4-8-14)12-19(16)10-9-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,18,21).
What are the key properties of N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide?
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide has a molecular weight of 286.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 45195311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).