2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide

C18H17N3O5 — CID 1213098

IUPAC2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3O)C2=O)cc1
InChIInChI=1S/C18H17N3O5/c1-26-12-8-6-11(7-9-12)21-16(23)10-14(18(21)25)19-20-17(24)13-4-2-3-5-15(13)22/h2-9,14,19,22H,10H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyJPYTVFQNYQYHSJ-CQSZACIVSA-N
MW355.35 g/mol
LogP0.97
Rot. Bonds5

About 2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide

2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide (PubChem CID 1213098) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide.

Molecular Properties

Compound Name2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
PubChem CID1213098
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3O)C2=O)cc1
InChIInChI=1S/C18H17N3O5/c1-26-12-8-6-11(7-9-12)21-16(23)10-14(18(21)25)19-20-17(24)13-4-2-3-5-15(13)22/h2-9,14,19,22H,10H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyJPYTVFQNYQYHSJ-CQSZACIVSA-N
XLogP0.97
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide 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

3-hydroxy-N'-[(3S)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-carbohydrazide
CID 2119946
N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 686395
2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7299451
3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7641357
3,4-dimethoxy-N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 4896092
tert-butyl N-[[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]carbamate
CID 92542330
N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide
CID 4077280
N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-2-methoxybenzohydrazide
CID 3480089
3-amino-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carbohydrazide
CID 97301449
(3R)-3-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 706667
3-[(2-hydroxy-2-phenylethyl)amino]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 4558033
(3S)-3-(2-methoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860123

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The IUPAC name of 2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide (CID 1213098) is 2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide.
What is the SMILES notation for 2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The canonical SMILES for 2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide is COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3O)C2=O)cc1.
What is the InChIKey of 2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The InChIKey is JPYTVFQNYQYHSJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-26-12-8-6-11(7-9-12)21-16(23)10-14(18(21)25)19-20-17(24)13-4-2-3-5-15(13)22/h2-9,14,19,22H,10H2,1H3,(H,20,24)/t14-/m1/s1.
What are the key properties of 2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide has a molecular weight of 355.35 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide is sourced from PubChem (CID 1213098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).