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

C16H18N2O2 — CID 45221745

IUPACN-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide
SMILESCC#CC(=O)NC1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C16H18N2O2/c1-2-6-15(19)17-14-11-16(20)18(12-14)10-9-13-7-4-3-5-8-13/h3-5,7-8,14H,9-12H2,1H3,(H,17,19)
InChIKeyCWAYLIFHXZUOSR-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.97
Rot. Bonds4

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

N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide (PubChem CID 45221745) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide.

Molecular Properties

Compound NameN-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide
PubChem CID45221745
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide
SMILESCC#CC(=O)NC1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C16H18N2O2/c1-2-6-15(19)17-14-11-16(20)18(12-14)10-9-13-7-4-3-5-8-13/h3-5,7-8,14H,9-12H2,1H3,(H,17,19)
InChIKeyCWAYLIFHXZUOSR-UHFFFAOYSA-N
XLogP0.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]but-2-ynamide
CID 26315273
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 45195311
2-methylsulfanyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 45205295
2-methylsulfanyl-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 25483856
2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 45193623
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 42509730
3-(2-methylimidazol-1-yl)-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 45225213
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 56898533
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 95723506

Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide?
The IUPAC name of N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide (CID 45221745) is N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide.
What is the SMILES notation for N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide?
The canonical SMILES for N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide is CC#CC(=O)NC1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide?
The InChIKey is CWAYLIFHXZUOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-6-15(19)17-14-11-16(20)18(12-14)10-9-13-7-4-3-5-8-13/h3-5,7-8,14H,9-12H2,1H3,(H,17,19).
What are the key properties of N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide?
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide has a molecular weight of 270.33 g/mol, XLogP of 0.97, 4 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]but-2-ynamide is sourced from PubChem (CID 45221745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).