3,5-dimethoxy-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzohydrazide

C15H18N4O6 — CID 9328496

IUPAC3,5-dimethoxy-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CN2C(=O)CN(C)C2=O)c1
InChIInChI=1S/C15H18N4O6/c1-18-8-13(21)19(15(18)23)7-12(20)16-17-14(22)9-4-10(24-2)6-11(5-9)25-3/h4-6H,7-8H2,1-3H3,(H,16,20)(H,17,22)
InChIKeyKYZIWGOKXYWKTE-UHFFFAOYSA-N
MW350.33 g/mol
LogP-0.64
Rot. Bonds5

About 3,5-dimethoxy-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzohydrazide

3,5-dimethoxy-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzohydrazide (PubChem CID 9328496) has the molecular formula C15H18N4O6 and a molecular weight of 350.33 g/mol. Its IUPAC name is 3,5-dimethoxy-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3,5-dimethoxy-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzohydrazide
PubChem CID9328496
Molecular FormulaC15H18N4O6
Molecular Weight350.33 g/mol
Exact Mass350.12
IUPAC Name3,5-dimethoxy-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CN2C(=O)CN(C)C2=O)c1
InChIInChI=1S/C15H18N4O6/c1-18-8-13(21)19(15(18)23)7-12(20)16-17-14(22)9-4-10(24-2)6-11(5-9)25-3/h4-6H,7-8H2,1-3H3,(H,16,20)(H,17,22)
InChIKeyKYZIWGOKXYWKTE-UHFFFAOYSA-N
XLogP-0.64
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide
CID 40943642
N'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide
CID 166452026
(5R)-5-methyl-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 9152931
N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide
CID 7742291
3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 26616798
N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide
CID 9328625
N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
CID 2710688
N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 91772492
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 112778993
N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide
CID 9496167
N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 8777093
N-(3-hydroxypropyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 43419262

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzohydrazide?
The IUPAC name of 3,5-dimethoxy-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzohydrazide (CID 9328496) is 3,5-dimethoxy-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for 3,5-dimethoxy-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzohydrazide?
The canonical SMILES for 3,5-dimethoxy-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)CN2C(=O)CN(C)C2=O)c1.
What is the InChIKey of 3,5-dimethoxy-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzohydrazide?
The InChIKey is KYZIWGOKXYWKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O6/c1-18-8-13(21)19(15(18)23)7-12(20)16-17-14(22)9-4-10(24-2)6-11(5-9)25-3/h4-6H,7-8H2,1-3H3,(H,16,20)(H,17,22).
What are the key properties of 3,5-dimethoxy-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzohydrazide?
3,5-dimethoxy-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzohydrazide has a molecular weight of 350.33 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N'-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 9328496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).