methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate

C20H17NO3 — CID 2231029

IUPACmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C20H17NO3/c1-24-20(23)17-11-4-5-12-18(17)21-19(22)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12H,13H2,1H3,(H,21,22)
InChIKeyGOPWYMQLDSLIRK-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.81
Rot. Bonds4

About methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate

methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate (PubChem CID 2231029) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
PubChem CID2231029
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namemethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C20H17NO3/c1-24-20(23)17-11-4-5-12-18(17)21-19(22)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12H,13H2,1H3,(H,21,22)
InChIKeyGOPWYMQLDSLIRK-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate (CID 2231029) is methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate?
The InChIKey is GOPWYMQLDSLIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-24-20(23)17-11-4-5-12-18(17)21-19(22)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12H,13H2,1H3,(H,21,22).
What are the key properties of methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate?
methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate has a molecular weight of 319.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate is sourced from PubChem (CID 2231029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).