methyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate

C18H18N2O3 — CID 70498190

IUPACmethyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate
SMILESCOC(=O)c1ccc(NC2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C18H18N2O3/c1-23-18(22)13-7-9-14(10-8-13)19-15-11-17(21)20(12-15)16-5-3-2-4-6-16/h2-10,15,19H,11-12H2,1H3
InChIKeyHOEWXIJFECJIFS-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.69
Rot. Bonds4

About methyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate

methyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate (PubChem CID 70498190) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate
PubChem CID70498190
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate
SMILESCOC(=O)c1ccc(NC2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C18H18N2O3/c1-23-18(22)13-7-9-14(10-8-13)19-15-11-17(21)20(12-15)16-5-3-2-4-6-16/h2-10,15,19H,11-12H2,1H3
InChIKeyHOEWXIJFECJIFS-UHFFFAOYSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 7545296
methyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzoate
CID 43969881
1-(4-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513465
methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248
propan-2-yl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 40605759
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
methyl 4-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]benzoate
CID 168670030
methyl 4-(4-cyano-2-oxopyrrolidin-1-yl)benzoate
CID 82041731
methyl 4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168507353
1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969282
3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685
methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate
CID 110736807

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate?
The IUPAC name of methyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate (CID 70498190) is methyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate.
What is the SMILES notation for methyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate?
The canonical SMILES for methyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate is COC(=O)c1ccc(NC2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of methyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate?
The InChIKey is HOEWXIJFECJIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-23-18(22)13-7-9-14(10-8-13)19-15-11-17(21)20(12-15)16-5-3-2-4-6-16/h2-10,15,19H,11-12H2,1H3.
What are the key properties of methyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate?
methyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate has a molecular weight of 310.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate is sourced from PubChem (CID 70498190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).