(3S)-N-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C19H19N3O5 — CID 9056673

IUPAC(3S)-N-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C19H19N3O5/c1-12-7-8-14(10-16(12)22(25)26)21-11-13(9-18(21)23)19(24)20-15-5-3-4-6-17(15)27-2/h3-8,10,13H,9,11H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyNVWKEZNQZSXRCQ-ZDUSSCGKSA-N
MW369.38 g/mol
LogP2.90
Rot. Bonds5

About (3S)-N-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9056673) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is (3S)-N-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9056673
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name(3S)-N-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C19H19N3O5/c1-12-7-8-14(10-16(12)22(25)26)21-11-13(9-18(21)23)19(24)20-15-5-3-4-6-17(15)27-2/h3-8,10,13H,9,11H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyNVWKEZNQZSXRCQ-ZDUSSCGKSA-N
XLogP2.90
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4-methyl-3-nitrophenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9056660
(3S)-N-(2,3-dichlorophenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056655
(3R)-N-(2,6-dimethylphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056624
(3S)-1-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004968
(3R)-1-(4-bromophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109940
(3S)-N-(4-chlorophenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056619
(3R)-1-(4-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965794
(3S)-1-(3-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727131
N-(2-methoxyphenyl)-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189902
1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 46569487
N-(4-methoxy-2-nitrophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885973
(3S)-N-(4-methyl-3-nitrophenyl)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056099

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 9056673) is (3S)-N-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1.
What is the InChIKey of (3S)-N-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NVWKEZNQZSXRCQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-12-7-8-14(10-16(12)22(25)26)21-11-13(9-18(21)23)19(24)20-15-5-3-4-6-17(15)27-2/h3-8,10,13H,9,11H2,1-2H3,(H,20,24)/t13-/m0/s1.
What are the key properties of (3S)-N-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9056673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).