N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide

C18H20N2O3 — CID 2672366

IUPACN'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-3-8-15(9-4-13)18(22)20-19-17(21)12-7-14-5-10-16(23-2)11-6-14/h3-6,8-11H,7,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyAYCILMZCTFDLJH-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.40
Rot. Bonds5

About N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide

N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide (PubChem CID 2672366) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
PubChem CID2672366
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-3-8-15(9-4-13)18(22)20-19-17(21)12-7-14-5-10-16(23-2)11-6-14/h3-6,8-11H,7,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyAYCILMZCTFDLJH-UHFFFAOYSA-N
XLogP2.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate
CID 14922045
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide
CID 60602190
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523165
[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
CID 19221101
N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 3342447
N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78815963
N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
CID 26533874
4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 795496
2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide
CID 112510933
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide (CID 2672366) is N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide is COc1ccc(CCC(=O)NNC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide?
The InChIKey is AYCILMZCTFDLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-3-8-15(9-4-13)18(22)20-19-17(21)12-7-14-5-10-16(23-2)11-6-14/h3-6,8-11H,7,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide?
N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide has a molecular weight of 312.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide is sourced from PubChem (CID 2672366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).