(3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C21H23N3O3 — CID 92727160

IUPAC(3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(N2C[C@H](C(=O)NCc3cccc(C)c3)CC2=O)c1
InChIInChI=1S/C21H23N3O3/c1-14-5-3-6-16(9-14)12-22-21(27)17-10-20(26)24(13-17)19-8-4-7-18(11-19)23-15(2)25/h3-9,11,17H,10,12-13H2,1-2H3,(H,22,27)(H,23,25)/t17-/m1/s1
InChIKeyMNIAHIGYMLBQBH-QGZVFWFLSA-N
MW365.43 g/mol
LogP2.62
Rot. Bonds5

About (3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 92727160) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID92727160
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(N2C[C@H](C(=O)NCc3cccc(C)c3)CC2=O)c1
InChIInChI=1S/C21H23N3O3/c1-14-5-3-6-16(9-14)12-22-21(27)17-10-20(26)24(13-17)19-8-4-7-18(11-19)23-15(2)25/h3-9,11,17H,10,12-13H2,1-2H3,(H,22,27)(H,23,25)/t17-/m1/s1
InChIKeyMNIAHIGYMLBQBH-QGZVFWFLSA-N
XLogP2.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide
CID 92727126
(3R)-1-(3-acetamidophenyl)-N-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92727158
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
(3S)-1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 33278455
(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
(3R)-1-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 28892382
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
1-(2,6-dichlorophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191238
1-(2,3-dichlorophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191341

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 92727160) is (3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1cccc(N2C[C@H](C(=O)NCc3cccc(C)c3)CC2=O)c1.
What is the InChIKey of (3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MNIAHIGYMLBQBH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-5-3-6-16(9-14)12-22-21(27)17-10-20(26)24(13-17)19-8-4-7-18(11-19)23-15(2)25/h3-9,11,17H,10,12-13H2,1-2H3,(H,22,27)(H,23,25)/t17-/m1/s1.
What are the key properties of (3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.62, 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-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92727160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).