N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide

C20H21N3O3 — CID 121052835

IUPACN-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-14(15-7-3-2-4-8-15)21-19(25)20(26)22-16-9-5-10-17(13-16)23-12-6-11-18(23)24/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,21,25)(H,22,26)
InChIKeySWEYDSDPBHWMGW-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.63
Rot. Bonds4

About N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide (PubChem CID 121052835) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
PubChem CID121052835
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-14(15-7-3-2-4-8-15)21-19(25)20(26)22-16-9-5-10-17(13-16)23-12-6-11-18(23)24/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,21,25)(H,22,26)
InChIKeySWEYDSDPBHWMGW-UHFFFAOYSA-N
XLogP2.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 44901688
1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea
CID 122151249
3-amino-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide
CID 119692837
N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 41192456
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide
CID 119724510
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 133216249
2-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307558
(2R)-2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 124626736
3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119724509
N'-(2-methylsulfanylphenyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 121054638

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide (CID 121052835) is N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide?
The InChIKey is SWEYDSDPBHWMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(15-7-3-2-4-8-15)21-19(25)20(26)22-16-9-5-10-17(13-16)23-12-6-11-18(23)24/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide?
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide has a molecular weight of 351.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide is sourced from PubChem (CID 121052835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).