4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate

C16H15N2O4- — CID 7948453

IUPAC4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H16N2O4/c19-14(8-9-16(21)22)17-18-15(20)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2,(H,17,19)(H,18,20)(H,21,22)/p-1
InChIKeyVFTSQKKGMBUHHK-UHFFFAOYSA-M
MW299.31 g/mol
LogP0.06
Rot. Bonds5

About 4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate

4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate (PubChem CID 7948453) has the molecular formula C16H15N2O4- and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate.

Molecular Properties

Compound Name4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate
PubChem CID7948453
Molecular FormulaC16H15N2O4-
Molecular Weight299.31 g/mol
Exact Mass299.10
IUPAC Name4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H16N2O4/c19-14(8-9-16(21)22)17-18-15(20)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2,(H,17,19)(H,18,20)(H,21,22)/p-1
InChIKeyVFTSQKKGMBUHHK-UHFFFAOYSA-M
XLogP0.06
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 905420
2-(4-chlorophenyl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 4936833
N'-(2-naphthalen-1-ylacetyl)-3-thiophen-2-ylpropanehydrazide
CID 42386767
3-naphthalen-1-yl-2-oxopropanoate
CID 18448912
N-[3-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 42385642
N'-(2-naphthalen-1-ylacetyl)pyridine-4-carbohydrazide
CID 4807892
cis-(1R,2S)-2-methyl-N'-(2-naphthalen-1-ylacetyl)cyclopropane-1-carbohydrazide
CID 42386223
4-chloro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 3396166
hexakis(2-naphthalen-1-ylacetate);hexakis(oxygen(2-));hexakis(propan-2-olate);hexakis(titanium(4+))
CID 139170861
3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 42386156
4-(2-benzoylhydrazinyl)-4-oxobutanoate
CID 2165242
trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium
CID 872172

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate?
The IUPAC name of 4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate (CID 7948453) is 4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate.
What is the SMILES notation for 4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate?
The canonical SMILES for 4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate is O=C([O-])CCC(=O)NNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate?
The InChIKey is VFTSQKKGMBUHHK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16N2O4/c19-14(8-9-16(21)22)17-18-15(20)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2,(H,17,19)(H,18,20)(H,21,22)/p-1.
What are the key properties of 4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate?
4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate has a molecular weight of 299.31 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-4-oxobutanoate is sourced from PubChem (CID 7948453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).