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

C19H19N3O5 — CID 7299451

IUPAC2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESCOc1cccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3OC)C2=O)c1
InChIInChI=1S/C19H19N3O5/c1-26-13-7-5-6-12(10-13)22-17(23)11-15(19(22)25)20-21-18(24)14-8-3-4-9-16(14)27-2/h3-10,15,20H,11H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyVDZMQQIAGXNUIL-OAHLLOKOSA-N
MW369.38 g/mol
LogP1.27
Rot. Bonds6

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

2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide (PubChem CID 7299451) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide.

Molecular Properties

Compound Name2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
PubChem CID7299451
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESCOc1cccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3OC)C2=O)c1
InChIInChI=1S/C19H19N3O5/c1-26-13-7-5-6-12(10-13)22-17(23)11-15(19(22)25)20-21-18(24)14-8-3-4-9-16(14)27-2/h3-10,15,20H,11H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyVDZMQQIAGXNUIL-OAHLLOKOSA-N
XLogP1.27
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.27
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'}

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Related Compounds

N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-2-methoxybenzohydrazide
CID 3480089
2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 1213098
N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide
CID 1120071
3-[(3S)-3-(2,4-dimethoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 93235150
(3R)-3-(2-ethoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860106
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
4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid
CID 8891417
2-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548070
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119938
dimethyl 5-[(3R)-3-[2-(2-bromobenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylate
CID 1265716
N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 3375893

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The IUPAC name of 2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide (CID 7299451) is 2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide.
What is the SMILES notation for 2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The canonical SMILES for 2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide is COc1cccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3OC)C2=O)c1.
What is the InChIKey of 2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The InChIKey is VDZMQQIAGXNUIL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-26-13-7-5-6-12(10-13)22-17(23)11-15(19(22)25)20-21-18(24)14-8-3-4-9-16(14)27-2/h3-10,15,20H,11H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of 2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide has a molecular weight of 369.38 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide is sourced from PubChem (CID 7299451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).