5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide

C18H18N2O3 — CID 168697402

IUPAC5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(Cc2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C18H18N2O3/c19-18(22)14-10-17(21)20(12-14)11-13-6-4-5-9-16(13)23-15-7-2-1-3-8-15/h1-9,14H,10-12H2,(H2,19,22)
InChIKeyRLRUQJRZVAHSCT-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.31
Rot. Bonds5

About 5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide

5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 168697402) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID168697402
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(Cc2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C18H18N2O3/c19-18(22)14-10-17(21)20(12-14)11-13-6-4-5-9-16(13)23-15-7-2-1-3-8-15/h1-9,14H,10-12H2,(H2,19,22)
InChIKeyRLRUQJRZVAHSCT-UHFFFAOYSA-N
XLogP2.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97032922
[5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673791
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83290643
(3R)-1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40625044
1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168696642
1-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22683234
1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697391
1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 168697461
1-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22682759
5-oxo-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168696080
5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 168697414

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide (CID 168697402) is 5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(Cc2ccccc2Oc2ccccc2)C1.
What is the InChIKey of 5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is RLRUQJRZVAHSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c19-18(22)14-10-17(21)20(12-14)11-13-6-4-5-9-16(13)23-15-7-2-1-3-8-15/h1-9,14H,10-12H2,(H2,19,22).
What are the key properties of 5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide?
5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 168697402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).