N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide

C20H22N2O3 — CID 46600220

IUPACN-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C20H22N2O3/c1-15(25-18-9-3-2-4-10-18)20(24)21-17-8-5-7-16(13-17)14-22-12-6-11-19(22)23/h2-5,7-10,13,15H,6,11-12,14H2,1H3,(H,21,24)
InChIKeyORMZTQCGYVULBN-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.21
Rot. Bonds6

About N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide

N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide (PubChem CID 46600220) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide
PubChem CID46600220
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C20H22N2O3/c1-15(25-18-9-3-2-4-10-18)20(24)21-17-8-5-7-16(13-17)14-22-12-6-11-19(22)23/h2-5,7-10,13,15H,6,11-12,14H2,1H3,(H,21,24)
InChIKeyORMZTQCGYVULBN-UHFFFAOYSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[3-[[(2R)-2-phenoxypropanoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 124828194
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
N-[1-oxo-1-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propan-2-yl]cyclopentanecarboxamide
CID 51119825
N-(3-methoxyphenyl)-2-[4-[(2-oxopyrrolidin-1-yl)methyl]anilino]-2-phenylacetamide
CID 87033167
3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
CID 30875155
2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 60585839
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 55617134
2-(3-fluorophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 86926058
1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 94784827
1-[[3-[2-(4-phenylphenoxy)propanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 60520535
2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide (CID 46600220) is N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1cccc(CN2CCCC2=O)c1.
What is the InChIKey of N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide?
The InChIKey is ORMZTQCGYVULBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15(25-18-9-3-2-4-10-18)20(24)21-17-8-5-7-16(13-17)14-22-12-6-11-19(22)23/h2-5,7-10,13,15H,6,11-12,14H2,1H3,(H,21,24).
What are the key properties of N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide?
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide has a molecular weight of 338.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 46600220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).