(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide

C20H21N3O3 — CID 92727126

IUPAC(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)c1
InChIInChI=1S/C20H21N3O3/c1-14(24)22-17-8-5-9-18(11-17)23-13-16(10-19(23)25)20(26)21-12-15-6-3-2-4-7-15/h2-9,11,16H,10,12-13H2,1H3,(H,21,26)(H,22,24)/t16-/m1/s1
InChIKeyBKJOFSIQQSJVQM-MRXNPFEDSA-N
MW351.41 g/mol
LogP2.31
Rot. Bonds5

About (3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide

(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 92727126) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide
PubChem CID92727126
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)c1
InChIInChI=1S/C20H21N3O3/c1-14(24)22-17-8-5-9-18(11-17)23-13-16(10-19(23)25)20(26)21-12-15-6-3-2-4-7-15/h2-9,11,16H,10,12-13H2,1H3,(H,21,26)(H,22,24)/t16-/m1/s1
InChIKeyBKJOFSIQQSJVQM-MRXNPFEDSA-N
XLogP2.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92727160
(3R)-1-(3-acetamidophenyl)-N-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92727158
1-(3-acetamidophenyl)-N-[(4-ethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 50838280
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
N-(3-acetamidophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946699
(3R)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 92727060
(3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 92727059
1-(3-acetamidophenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113189009
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
(3S)-1-(3-acetamidophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727013
(3R)-1-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 28892382

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide (CID 92727126) is (3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1cccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)c1.
What is the InChIKey of (3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BKJOFSIQQSJVQM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(24)22-17-8-5-9-18(11-17)23-13-16(10-19(23)25)20(26)21-12-15-6-3-2-4-7-15/h2-9,11,16H,10,12-13H2,1H3,(H,21,26)(H,22,24)/t16-/m1/s1.
What are the key properties of (3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92727126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).