2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide

C18H18N2O3 — CID 108511608

IUPAC2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C18H18N2O3/c21-17(18(22)20-12-4-5-13-20)19-14-8-10-16(11-9-14)23-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H,19,21)
InChIKeySAEHSAUFPDCDQZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.04
Rot. Bonds3

About 2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide

2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 108511608) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID108511608
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)N1CCCC1
InChIInChI=1S/C18H18N2O3/c21-17(18(22)20-12-4-5-13-20)19-14-8-10-16(11-9-14)23-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H,19,21)
InChIKeySAEHSAUFPDCDQZ-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 44902818
ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate
CID 108504159
4-phenoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532346
2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(4-phenoxyphenyl)acetamide
CID 108505566
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
methyl 2-oxo-2-(4-phenoxyanilino)acetate
CID 53359368
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate
CID 110179174
N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide
CID 108511717

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of 2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide (CID 108511608) is 2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for 2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for 2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)N1CCCC1.
What is the InChIKey of 2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is SAEHSAUFPDCDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(18(22)20-12-4-5-13-20)19-14-8-10-16(11-9-14)23-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H,19,21).
What are the key properties of 2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide?
2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 310.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 108511608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).