2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C16H21N3O2 — CID 116677234

IUPAC2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(N2CCCC2=O)c1)C1CNC1
InChIInChI=1S/C16H21N3O2/c1-11(12-9-17-10-12)16(21)18-13-4-2-5-14(8-13)19-7-3-6-15(19)20/h2,4-5,8,11-12,17H,3,6-7,9-10H2,1H3,(H,18,21)
InChIKeyYRCSPJOJFDNFCC-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.61
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide

2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 116677234) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID116677234
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(N2CCCC2=O)c1)C1CNC1
InChIInChI=1S/C16H21N3O2/c1-11(12-9-17-10-12)16(21)18-13-4-2-5-14(8-13)19-7-3-6-15(19)20/h2,4-5,8,11-12,17H,3,6-7,9-10H2,1H3,(H,18,21)
InChIKeyYRCSPJOJFDNFCC-UHFFFAOYSA-N
XLogP1.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000
N'-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 44901688
3-amino-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide
CID 119692837
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 81088851
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
2-(3-fluorophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 86926058
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 47020354
2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 51213638
2-[3-(methylamino)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119919119

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 116677234) is 2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide is CC(C(=O)Nc1cccc(N2CCCC2=O)c1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is YRCSPJOJFDNFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(12-9-17-10-12)16(21)18-13-4-2-5-14(8-13)19-7-3-6-15(19)20/h2,4-5,8,11-12,17H,3,6-7,9-10H2,1H3,(H,18,21).
What are the key properties of 2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 116677234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).