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

C20H21N3O6 — CID 7641357

IUPAC3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(OC)c(OC)c3)C2=O)cc1
InChIInChI=1S/C20H21N3O6/c1-27-14-7-5-13(6-8-14)23-18(24)11-15(20(23)26)21-22-19(25)12-4-9-16(28-2)17(10-12)29-3/h4-10,15,21H,11H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyLMOAKEOLODUEIE-HNNXBMFYSA-N
MW399.40 g/mol
LogP1.28
Rot. Bonds7

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

3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide (PubChem CID 7641357) has the molecular formula C20H21N3O6 and a molecular weight of 399.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
PubChem CID7641357
Molecular FormulaC20H21N3O6
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(OC)c(OC)c3)C2=O)cc1
InChIInChI=1S/C20H21N3O6/c1-27-14-7-5-13(6-8-14)23-18(24)11-15(20(23)26)21-22-19(25)12-4-9-16(28-2)17(10-12)29-3/h4-10,15,21H,11H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyLMOAKEOLODUEIE-HNNXBMFYSA-N
XLogP1.28
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3,4-dimethoxy-N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 4896092
N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 686395
3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119915
N'-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide
CID 7643515
N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide
CID 4973642
2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 1213098
tert-butyl N-[[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]carbamate
CID 92542330
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-[2,5-dioxo-3-[2-(pyridine-3-carbonyl)hydrazinyl]pyrrolidin-1-yl]benzoate
CID 21168448
3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3435435
N'-[(3S)-1-naphthalen-2-yl-2,5-dioxopyrrolidin-3-yl]-4-propoxybenzohydrazide
CID 2119955
2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7299451
N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
CID 40619107

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide (CID 7641357) is 3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide is COc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(OC)c(OC)c3)C2=O)cc1.
What is the InChIKey of 3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The InChIKey is LMOAKEOLODUEIE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N3O6/c1-27-14-7-5-13(6-8-14)23-18(24)11-15(20(23)26)21-22-19(25)12-4-9-16(28-2)17(10-12)29-3/h4-10,15,21H,11H2,1-3H3,(H,22,25)/t15-/m0/s1.
What are the key properties of 3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide has a molecular weight of 399.40 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide is sourced from PubChem (CID 7641357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).