methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate

C20H17NO3 — CID 4808058

IUPACmethyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H17NO3/c1-24-20(23)16-8-6-14(7-9-16)13-21-19(22)18-11-10-15-4-2-3-5-17(15)12-18/h2-12H,13H2,1H3,(H,21,22)
InChIKeyCYDXGHWQOGSZRJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.56
Rot. Bonds4

About methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate

methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate (PubChem CID 4808058) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate
PubChem CID4808058
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namemethyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H17NO3/c1-24-20(23)16-8-6-14(7-9-16)13-21-19(22)18-11-10-15-4-2-3-5-17(15)12-18/h2-12H,13H2,1H3,(H,21,22)
InChIKeyCYDXGHWQOGSZRJ-UHFFFAOYSA-N
XLogP3.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2'-Phenethylcarbamoyl-biphenyl-2-carboxylic acid
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[(2-Phenylethyl)carbamoyl]methyl 3,4-dimethylbenzoate
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CID 4472628
[2-Oxo-2-(1-phenylethylamino)ethyl] 3,4-dimethylbenzoate
CID 4802847
Methyl 11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-5-carboxylate
CID 9834541
[2''-(3-Methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 9932430
1-[2-(4-Naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]-isochroman-6-carboxylic acid amide
CID 10070281

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate?
The IUPAC name of methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate (CID 4808058) is methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate.
What is the SMILES notation for methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate?
The canonical SMILES for methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate?
The InChIKey is CYDXGHWQOGSZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-24-20(23)16-8-6-14(7-9-16)13-21-19(22)18-11-10-15-4-2-3-5-17(15)12-18/h2-12H,13H2,1H3,(H,21,22).
What are the key properties of methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate?
methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate has a molecular weight of 319.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate is sourced from PubChem (CID 4808058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).