N-naphthalen-2-yl-3-oxobutanehydrazide

C14H14N2O2 — CID 123791890

IUPACN-naphthalen-2-yl-3-oxobutanehydrazide
SMILESCC(=O)CC(=O)N(N)c1ccc2ccccc2c1
InChIInChI=1S/C14H14N2O2/c1-10(17)8-14(18)16(15)13-7-6-11-4-2-3-5-12(11)9-13/h2-7,9H,8,15H2,1H3
InChIKeyIVTWWGWXFRKVTK-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.03
Rot. Bonds3

About N-naphthalen-2-yl-3-oxobutanehydrazide

N-naphthalen-2-yl-3-oxobutanehydrazide (PubChem CID 123791890) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-naphthalen-2-yl-3-oxobutanehydrazide.

Molecular Properties

Compound NameN-naphthalen-2-yl-3-oxobutanehydrazide
PubChem CID123791890
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-naphthalen-2-yl-3-oxobutanehydrazide
SMILESCC(=O)CC(=O)N(N)c1ccc2ccccc2c1
InChIInChI=1S/C14H14N2O2/c1-10(17)8-14(18)16(15)13-7-6-11-4-2-3-5-12(11)9-13/h2-7,9H,8,15H2,1H3
InChIKeyIVTWWGWXFRKVTK-UHFFFAOYSA-N
XLogP2.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 25337456
ethane;naphthalene-2-carbohydrazide
CID 91601372
N-(2-acetylphenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593322
(2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide
CID 131699253
2-(cyclopropylamino)-N-methyl-N-naphthalen-2-ylacetamide
CID 115158419
CID 159685847
CID 159685847
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
2-amino-N-phenylacetohydrazide
CID 70067236
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-naphthalen-2-ylanilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832690
2,2-dimethyl-N-[3-[methyl(naphthalen-2-yl)amino]-3-oxopropyl]propanamide
CID 134022464
ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate
CID 167435011

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-3-oxobutanehydrazide?
The IUPAC name of N-naphthalen-2-yl-3-oxobutanehydrazide (CID 123791890) is N-naphthalen-2-yl-3-oxobutanehydrazide.
What is the SMILES notation for N-naphthalen-2-yl-3-oxobutanehydrazide?
The canonical SMILES for N-naphthalen-2-yl-3-oxobutanehydrazide is CC(=O)CC(=O)N(N)c1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-3-oxobutanehydrazide?
The InChIKey is IVTWWGWXFRKVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10(17)8-14(18)16(15)13-7-6-11-4-2-3-5-12(11)9-13/h2-7,9H,8,15H2,1H3.
What are the key properties of N-naphthalen-2-yl-3-oxobutanehydrazide?
N-naphthalen-2-yl-3-oxobutanehydrazide has a molecular weight of 242.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-3-oxobutanehydrazide is sourced from PubChem (CID 123791890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).