(1-phenylethylideneamino) naphthalene-2-carboxylate

C19H15NO2 — CID 76708666

IUPAC(1-phenylethylideneamino) naphthalene-2-carboxylate
SMILESCC(=NOC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C19H15NO2/c1-14(15-7-3-2-4-8-15)20-22-19(21)18-12-11-16-9-5-6-10-17(16)13-18/h2-13H,1H3
InChIKeyROZRLMASHVDVHB-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.42
Rot. Bonds3

About (1-phenylethylideneamino) naphthalene-2-carboxylate

(1-phenylethylideneamino) naphthalene-2-carboxylate (PubChem CID 76708666) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is (1-phenylethylideneamino) naphthalene-2-carboxylate.

Molecular Properties

Compound Name(1-phenylethylideneamino) naphthalene-2-carboxylate
PubChem CID76708666
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name(1-phenylethylideneamino) naphthalene-2-carboxylate
SMILESCC(=NOC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C19H15NO2/c1-14(15-7-3-2-4-8-15)20-22-19(21)18-12-11-16-9-5-6-10-17(16)13-18/h2-13H,1H3
InChIKeyROZRLMASHVDVHB-UHFFFAOYSA-N
XLogP4.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1-phenylethylideneamino) naphthalene-2-carboxylate 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

[(E)-1-naphthalen-2-ylethylideneamino] benzoate
CID 18602824
(1-naphthalen-2-ylethylideneamino) acetate
CID 54130886
(E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one
CID 177400988
[(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate
CID 88860851
[[amino-(4-chlorophenyl)methylidene]amino] naphthalene-2-carboxylate
CID 2903183
[[amino-(4-iodophenyl)methylidene]amino] naphthalene-2-carboxylate
CID 2229616
ethane;methyl naphthalene-2-carboxylate
CID 143895262
(2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate
CID 134263039
(Z)-N-phenoxy-1-phenylethanimine
CID 42624945
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
naphthalene-2-carboxylic acid
CID 175967775
propanoyl naphthalene-2-carboxylate
CID 118192395

Frequently Asked Questions

What is the IUPAC name of (1-phenylethylideneamino) naphthalene-2-carboxylate?
The IUPAC name of (1-phenylethylideneamino) naphthalene-2-carboxylate (CID 76708666) is (1-phenylethylideneamino) naphthalene-2-carboxylate.
What is the SMILES notation for (1-phenylethylideneamino) naphthalene-2-carboxylate?
The canonical SMILES for (1-phenylethylideneamino) naphthalene-2-carboxylate is CC(=NOC(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of (1-phenylethylideneamino) naphthalene-2-carboxylate?
The InChIKey is ROZRLMASHVDVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c1-14(15-7-3-2-4-8-15)20-22-19(21)18-12-11-16-9-5-6-10-17(16)13-18/h2-13H,1H3.
What are the key properties of (1-phenylethylideneamino) naphthalene-2-carboxylate?
(1-phenylethylideneamino) naphthalene-2-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylethylideneamino) naphthalene-2-carboxylate is sourced from PubChem (CID 76708666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).