(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

C19H20N2O4 — CID 40720280

IUPAC(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3)CC2=O)c(OC)c1
InChIInChI=1S/C19H20N2O4/c1-24-15-8-9-16(17(11-15)25-2)21-12-13(10-18(21)22)19(23)20-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyQXOLCJHHYRVXOE-CYBMUJFWSA-N
MW340.38 g/mol
LogP2.70
Rot. Bonds5

About (3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 40720280) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID40720280
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3)CC2=O)c(OC)c1
InChIInChI=1S/C19H20N2O4/c1-24-15-8-9-16(17(11-15)25-2)21-12-13(10-18(21)22)19(23)20-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyQXOLCJHHYRVXOE-CYBMUJFWSA-N
XLogP2.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-acetamidophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351652
(3R)-1-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29137137
(3S)-N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351333
1-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 51148416
methyl 4-[[(3R)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9351557
(3S)-N-(4-cyanophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351650
N-(3,4-dichlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55335202
(3R)-1-(2,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351533
(3S)-N-benzhydryl-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965651
N-(2-tert-butylphenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42904433
1-(4-chloro-2-methoxy-5-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191493
1-(2,4-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 112762981

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 40720280) is (3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)Nc3ccccc3)CC2=O)c(OC)c1.
What is the InChIKey of (3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is QXOLCJHHYRVXOE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-15-8-9-16(17(11-15)25-2)21-12-13(10-18(21)22)19(23)20-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of (3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 40720280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).