(3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide

C19H17N3O4 — CID 98552930

IUPAC(3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide
SMILESCc1ccccc1NC(=O)[C@@H]1C(=O)N(c2ccccc2C)C(=O)/C1=N/O
InChIInChI=1S/C19H17N3O4/c1-11-7-3-5-9-13(11)20-17(23)15-16(21-26)19(25)22(18(15)24)14-10-6-4-8-12(14)2/h3-10,15,26H,1-2H3,(H,20,23)/b21-16+/t15-/m1/s1
InChIKeyAQYPQUIGWBJPNA-JJTVEENBSA-N
MW351.36 g/mol
LogP2.26
Rot. Bonds3

About (3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide

(3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide (PubChem CID 98552930) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is (3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide
PubChem CID98552930
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide
SMILESCc1ccccc1NC(=O)[C@@H]1C(=O)N(c2ccccc2C)C(=O)/C1=N/O
InChIInChI=1S/C19H17N3O4/c1-11-7-3-5-9-13(11)20-17(23)15-16(21-26)19(25)22(18(15)24)14-10-6-4-8-12(14)2/h3-10,15,26H,1-2H3,(H,20,23)/b21-16+/t15-/m1/s1
InChIKeyAQYPQUIGWBJPNA-JJTVEENBSA-N
XLogP2.26
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4E)-4-(carbamoylhydrazinylidene)-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide
CID 98296746
N-(2-methylphenyl)-2-[3-(2-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 18892076
2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399302
(2Z)-2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399046
1-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703022
N-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide
CID 163236880
N-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide
CID 163236762
(3S)-N-(2-bromophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351107
2-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)cyclopropane-1-carboxamide
CID 109140903
(1S,6S)-3,4-dimethyl-6-[(2-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 842157
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671
(2-methylphenyl)urea;phosphane
CID 175888509

Frequently Asked Questions

What is the IUPAC name of (3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide?
The IUPAC name of (3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide (CID 98552930) is (3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide is Cc1ccccc1NC(=O)[C@@H]1C(=O)N(c2ccccc2C)C(=O)/C1=N/O.
What is the InChIKey of (3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide?
The InChIKey is AQYPQUIGWBJPNA-JJTVEENBSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-11-7-3-5-9-13(11)20-17(23)15-16(21-26)19(25)22(18(15)24)14-10-6-4-8-12(14)2/h3-10,15,26H,1-2H3,(H,20,23)/b21-16+/t15-/m1/s1.
What are the key properties of (3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide?
(3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4E)-4-hydroxyimino-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 98552930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).