methyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate

C20H17NO2 — CID 134113150

IUPACmethyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate
SMILESCOC(=O)c1ccccc1/C=N/Cc1cccc2ccccc12
InChIInChI=1S/C20H17NO2/c1-23-20(22)19-12-5-3-8-17(19)14-21-13-16-10-6-9-15-7-2-4-11-18(15)16/h2-12,14H,13H2,1H3/b21-14+
InChIKeyQRMPCARTENPNEN-KGENOOAVSA-N
MW303.36 g/mol
LogP4.25
Rot. Bonds4

About methyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate

methyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate (PubChem CID 134113150) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate
PubChem CID134113150
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Namemethyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate
SMILESCOC(=O)c1ccccc1/C=N/Cc1cccc2ccccc12
InChIInChI=1S/C20H17NO2/c1-23-20(22)19-12-5-3-8-17(19)14-21-13-16-10-6-9-15-7-2-4-11-18(15)16/h2-12,14H,13H2,1H3/b21-14+
InChIKeyQRMPCARTENPNEN-KGENOOAVSA-N
XLogP4.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate
CID 8764296
methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 86997342
methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 9212359
methyl 2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9217614
methyl 4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]benzoate
CID 5393689
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]benzoate
CID 9215995
methyl 2-[(R)-[8-(hydroxymethyl)naphthalen-1-yl]sulfinyl]benzoate
CID 11859448
methyl 4-(azidomethyl)naphthalene-1-carboxylate
CID 20763045

Frequently Asked Questions

What is the IUPAC name of methyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate?
The IUPAC name of methyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate (CID 134113150) is methyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate.
What is the SMILES notation for methyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate?
The canonical SMILES for methyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate is COC(=O)c1ccccc1/C=N/Cc1cccc2ccccc12.
What is the InChIKey of methyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate?
The InChIKey is QRMPCARTENPNEN-KGENOOAVSA-N. The full InChI is InChI=1S/C20H17NO2/c1-23-20(22)19-12-5-3-8-17(19)14-21-13-16-10-6-9-15-7-2-4-11-18(15)16/h2-12,14H,13H2,1H3/b21-14+.
What are the key properties of methyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate?
methyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate has a molecular weight of 303.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(naphthalen-1-ylmethyliminomethyl)benzoate is sourced from PubChem (CID 134113150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).