(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H22N2O2 — CID 9103777

IUPAC(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)NCc3ccccc3C)CC2=O)cc1
InChIInChI=1S/C20H22N2O2/c1-14-7-9-18(10-8-14)22-13-17(11-19(22)23)20(24)21-12-16-6-4-3-5-15(16)2/h3-10,17H,11-13H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyGGDNTMISIUSVTF-KRWDZBQOSA-N
MW322.41 g/mol
LogP2.97
Rot. Bonds4

About (3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9103777) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9103777
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)NCc3ccccc3C)CC2=O)cc1
InChIInChI=1S/C20H22N2O2/c1-14-7-9-18(10-8-14)22-13-17(11-19(22)23)20(24)21-12-16-6-4-3-5-15(16)2/h3-10,17H,11-13H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyGGDNTMISIUSVTF-KRWDZBQOSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978837
N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190723
(3S)-1-(4-methylphenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 33278455
1-(4-methylphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 71790727
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 53155717
(3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92900169
1-(3,5-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109987
(3S)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680417
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 702195
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55583210

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 9103777) is (3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@@H](C(=O)NCc3ccccc3C)CC2=O)cc1.
What is the InChIKey of (3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GGDNTMISIUSVTF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-7-9-18(10-8-14)22-13-17(11-19(22)23)20(24)21-12-16-6-4-3-5-15(16)2/h3-10,17H,11-13H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of (3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9103777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).