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

C20H21N3O5 — CID 2119915

IUPAC3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESCOc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccccc3C)C2=O)cc1OC
InChIInChI=1S/C20H21N3O5/c1-12-6-4-5-7-15(12)23-18(24)11-14(20(23)26)21-22-19(25)13-8-9-16(27-2)17(10-13)28-3/h4-10,14,21H,11H2,1-3H3,(H,22,25)/t14-/m1/s1
InChIKeyVXBDEGOBFBPGQA-CQSZACIVSA-N
MW383.40 g/mol
LogP1.58
Rot. Bonds6

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

3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide (PubChem CID 2119915) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
PubChem CID2119915
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESCOc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccccc3C)C2=O)cc1OC
InChIInChI=1S/C20H21N3O5/c1-12-6-4-5-7-15(12)23-18(24)11-14(20(23)26)21-22-19(25)13-8-9-16(27-2)17(10-13)28-3/h4-10,14,21H,11H2,1-3H3,(H,22,25)/t14-/m1/s1
InChIKeyVXBDEGOBFBPGQA-CQSZACIVSA-N
XLogP1.58
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
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 3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-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

3,4-dimethoxy-N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 4896092
3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7641357
N'-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4,5-trimethoxybenzohydrazide
CID 51579469
3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3435435
3-[3-fluoro-4-(2-methoxyethoxy)anilino]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 167825068
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-[2,5-dioxo-3-[2-(pyridine-3-carbonyl)hydrazinyl]pyrrolidin-1-yl]benzoate
CID 21168448
3-[[(3S)-1-(2-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methylbenzoate
CID 2126425
N'-[1-(3,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 66508237
3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide
CID 4833062
N'-[(3S)-1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1,3-benzodioxole-5-carbohydrazide
CID 2119914
2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7299451
4-methyl-3-[(3R)-3-(2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 92523325

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide (CID 2119915) is 3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide is COc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccccc3C)C2=O)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The InChIKey is VXBDEGOBFBPGQA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-12-6-4-5-7-15(12)23-18(24)11-14(20(23)26)21-22-19(25)13-8-9-16(27-2)17(10-13)28-3/h4-10,14,21H,11H2,1-3H3,(H,22,25)/t14-/m1/s1.
What are the key properties of 3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide has a molecular weight of 383.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide is sourced from PubChem (CID 2119915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).