3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide

C21H20N2O2 — CID 42386156

IUPAC3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
SMILESCc1cc(C)cc(C(=O)NNC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C21H20N2O2/c1-14-10-15(2)12-18(11-14)21(25)23-22-20(24)13-17-8-5-7-16-6-3-4-9-19(16)17/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJTWLGOUKMCPGGZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.46
Rot. Bonds3

About 3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide

3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide (PubChem CID 42386156) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
PubChem CID42386156
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
SMILESCc1cc(C)cc(C(=O)NNC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C21H20N2O2/c1-14-10-15(2)12-18(11-14)21(25)23-22-20(24)13-17-8-5-7-16-6-3-4-9-19(16)17/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJTWLGOUKMCPGGZ-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-naphthalen-1-ylacetyl)pyridine-4-carbohydrazide
CID 4807892
4-chloro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 3396166
4-(3,5-dimethylpyrazol-1-yl)-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 55495546
N-[2-(3,5-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 30349918
6-methyl-N'-(2-naphthalen-1-ylacetyl)-4-oxochromene-2-carbohydrazide
CID 42386965
2-naphthalen-1-yl-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]acetamide
CID 7677981
2,4-difluoro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 42386169
N'-(2-naphthalen-1-ylacetyl)-4-prop-2-enoxybenzohydrazide
CID 4925965
2-naphthalen-1-yl-N'-(1-naphthalen-2-ylethenyl)acetohydrazide
CID 4620154
4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate
CID 7948453
2,2,2-trifluoro-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 905420
2-(4-chlorophenyl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 4936833

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
The IUPAC name of 3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide (CID 42386156) is 3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide.
What is the SMILES notation for 3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
The canonical SMILES for 3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide is Cc1cc(C)cc(C(=O)NNC(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of 3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
The InChIKey is JTWLGOUKMCPGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-10-15(2)12-18(11-14)21(25)23-22-20(24)13-17-8-5-7-16-6-3-4-9-19(16)17/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide?
3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide has a molecular weight of 332.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide is sourced from PubChem (CID 42386156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).