methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate

C22H24N2O4 — CID 113185364

IUPACmethyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C22H24N2O4/c1-28-22(27)18-11-5-6-12-19(18)23-21(26)17-14-20(25)24(15-17)13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H,23,26)
InChIKeyJOSFAPNKBJZHBG-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.89
Rot. Bonds7

About methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate

methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 113185364) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate
PubChem CID113185364
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namemethyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C22H24N2O4/c1-28-22(27)18-11-5-6-12-19(18)23-21(26)17-14-20(25)24(15-17)13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H,23,26)
InChIKeyJOSFAPNKBJZHBG-UHFFFAOYSA-N
XLogP2.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 41118744
N-(2-methoxyphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185346
5-oxo-1-(3-phenylpropyl)-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185328
ethyl 2-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 17082543
methyl 2-[[1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113183235
N-(3,5-dimethylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185321
methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113183484
N-[2-(2-methylpropylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46451207
(3R)-N-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26884243
N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 55660842
(3R)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26084194
methyl 2-[[(3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoate
CID 9401051

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate (CID 113185364) is methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1CC(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is JOSFAPNKBJZHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-28-22(27)18-11-5-6-12-19(18)23-21(26)17-14-20(25)24(15-17)13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H,23,26).
What are the key properties of methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate?
methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 380.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 113185364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).