phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate

C20H18N2O5 — CID 4272230

IUPACphenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate
SMILESO=C(COC(=O)C1CC(=O)N(NC(=O)c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C20H18N2O5/c23-17(14-7-3-1-4-8-14)13-27-20(26)16-11-18(24)22(12-16)21-19(25)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,21,25)
InChIKeyRLBVWPPIANPUMQ-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.61
Rot. Bonds6

About phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate

phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate (PubChem CID 4272230) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namephenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate
PubChem CID4272230
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Namephenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate
SMILESO=C(COC(=O)C1CC(=O)N(NC(=O)c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C20H18N2O5/c23-17(14-7-3-1-4-8-14)13-27-20(26)16-11-18(24)22(12-16)21-19(25)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,21,25)
InChIKeyRLBVWPPIANPUMQ-UHFFFAOYSA-N
XLogP1.61
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 7281656
[2-(4-methylphenyl)-2-oxoethyl] (3R)-1-[(4-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 7281773
[2-(4-chlorophenyl)-2-oxoethyl] (3R)-1-[(4-chlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 40878074
[2-(4-methylphenyl)-2-oxoethyl] (3R)-1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 7281797
[2-(4-fluorophenyl)-2-oxoethyl] (3R)-1-[(4-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 7281777
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 124579100
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 124579099
[2-(3,5-dimethylanilino)-2-oxoethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 9166626
[2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl] (3R)-1-[(4-nitrobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 98106970
[2-(4-nitrophenyl)-2-oxoethyl] (3R)-1-[(4-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 40878155
(2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 7367044
[2-(4-methoxyanilino)-2-oxoethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 9166677

Frequently Asked Questions

What is the IUPAC name of phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate (CID 4272230) is phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate is O=C(COC(=O)C1CC(=O)N(NC(=O)c2ccccc2)C1)c1ccccc1.
What is the InChIKey of phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate?
The InChIKey is RLBVWPPIANPUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-17(14-7-3-1-4-8-14)13-27-20(26)16-11-18(24)22(12-16)21-19(25)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,21,25).
What are the key properties of phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate?
phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate has a molecular weight of 366.37 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 4272230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).