5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide

C16H22N2O2 — CID 78981922

IUPAC5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)C2CNC(=O)C2)cc1
InChIInChI=1S/C16H22N2O2/c1-10(2)12-4-6-13(7-5-12)11(3)18-16(20)14-8-15(19)17-9-14/h4-7,10-11,14H,8-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyKZADQNJMRLOLLY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.12
Rot. Bonds4

About 5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide

5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 78981922) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID78981922
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(C(C)NC(=O)C2CNC(=O)C2)cc1
InChIInChI=1S/C16H22N2O2/c1-10(2)12-4-6-13(7-5-12)11(3)18-16(20)14-8-15(19)17-9-14/h4-7,10-11,14H,8-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyKZADQNJMRLOLLY-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78981822
6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 71652098
N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 78982142
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 43707174
N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78981655
2-oxo-N-(1-phenylethyl)piperidine-4-carboxamide
CID 110682047
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 78982260
N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78982251
N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 136525993
3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 81455410
N-but-3-en-2-yl-5-oxopyrrolidine-3-carboxamide
CID 115692112

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide (CID 78981922) is 5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide is CC(C)c1ccc(C(C)NC(=O)C2CNC(=O)C2)cc1.
What is the InChIKey of 5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is KZADQNJMRLOLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)12-4-6-13(7-5-12)11(3)18-16(20)14-8-15(19)17-9-14/h4-7,10-11,14H,8-9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide?
5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 78981922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).