(2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide

C22H20N2O2 — CID 29130811

IUPAC(2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@@H](C(=O)Nc2cccc3ccccc23)[C@@H]1c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-24-20(25)14-18(21(24)16-9-3-2-4-10-16)22(26)23-19-13-7-11-15-8-5-6-12-17(15)19/h2-13,18,21H,14H2,1H3,(H,23,26)/t18-,21+/m1/s1
InChIKeyKGFUWDIBAQKBNX-NQIIRXRSSA-N
MW344.41 g/mol
LogP4.00
Rot. Bonds3

About (2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide

(2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide (PubChem CID 29130811) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide
PubChem CID29130811
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@@H](C(=O)Nc2cccc3ccccc23)[C@@H]1c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-24-20(25)14-18(21(24)16-9-3-2-4-10-16)22(26)23-19-13-7-11-15-8-5-6-12-17(15)19/h2-13,18,21H,14H2,1H3,(H,23,26)/t18-,21+/m1/s1
InChIKeyKGFUWDIBAQKBNX-NQIIRXRSSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-N-(2-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136577
N-(2-bromophenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42652477
N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42651384
(2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29131499
(2R,3R)-1-methyl-5-oxo-2-phenyl-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 29131786
(2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29132676
(1R)-N-naphthalen-1-yl-2-phenylcyclobutane-1-carboxamide
CID 146488931
N-(1H-benzimidazol-2-yl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42652359
(2S,3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29134238
(2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136965
(2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29130506
trans-(1R,2R)-2-(naphthalen-1-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 823443

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide (CID 29130811) is (2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide is CN1C(=O)C[C@@H](C(=O)Nc2cccc3ccccc23)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
The InChIKey is KGFUWDIBAQKBNX-NQIIRXRSSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-24-20(25)14-18(21(24)16-9-3-2-4-10-16)22(26)23-19-13-7-11-15-8-5-6-12-17(15)19/h2-13,18,21H,14H2,1H3,(H,23,26)/t18-,21+/m1/s1.
What are the key properties of (2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide?
(2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 29130811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).