4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide

C18H18N4O4 — CID 23531486

IUPAC4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide
SMILESCNNC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H18N4O4/c1-11(23)12-3-5-14(6-4-12)17(25)21-22-18(26)15-9-7-13(8-10-15)16(24)20-19-2/h3-10,19H,1-2H3,(H,20,24)(H,21,25)(H,22,26)
InChIKeyRWKOYZCHXPHZCQ-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.83
Rot. Bonds5

About 4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide

4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide (PubChem CID 23531486) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide.

Molecular Properties

Compound Name4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide
PubChem CID23531486
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide
SMILESCNNC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H18N4O4/c1-11(23)12-3-5-14(6-4-12)17(25)21-22-18(26)15-9-7-13(8-10-15)16(24)20-19-2/h3-10,19H,1-2H3,(H,20,24)(H,21,25)(H,22,26)
InChIKeyRWKOYZCHXPHZCQ-UHFFFAOYSA-N
XLogP0.83
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(fluoromethyl)-N'-methylbenzohydrazide
CID 89029465
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-methyl-3-[(4-methylbenzoyl)amino]urea
CID 3271870
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
4-acetyl-N-[6-(methylamino)hexyl]benzamide
CID 54472432
1-(4-hydroxyphenyl)ethanone;phosphane
CID 145192657
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851
N'-acetyl-4-chlorobenzohydrazide
CID 799230
3-[(4-acetylbenzoyl)amino]propylcarbamic acid
CID 130234189
4-acetyl-N-(3-methylbutan-2-yl)benzamide
CID 18712014
methanamine;bis(N-methylbenzamide);1-phenylethanone
CID 161091192
4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
CID 111483322

Frequently Asked Questions

What is the IUPAC name of 4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide?
The IUPAC name of 4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide (CID 23531486) is 4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide.
What is the SMILES notation for 4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide?
The canonical SMILES for 4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide is CNNC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide?
The InChIKey is RWKOYZCHXPHZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-11(23)12-3-5-14(6-4-12)17(25)21-22-18(26)15-9-7-13(8-10-15)16(24)20-19-2/h3-10,19H,1-2H3,(H,20,24)(H,21,25)(H,22,26).
What are the key properties of 4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide?
4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide has a molecular weight of 354.37 g/mol, XLogP of 0.83, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N'-(4-acetylbenzoyl)-1-N'-methylbenzene-1,4-dicarbohydrazide is sourced from PubChem (CID 23531486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).