methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate

C21H19NO3 — CID 86997342

IUPACmethyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate
SMILESCOC(=O)c1cccc(C)c1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H19NO3/c1-14-7-5-12-18(21(24)25-2)20(14)22-19(23)13-16-10-6-9-15-8-3-4-11-17(15)16/h3-12H,13H2,1-2H3,(H,22,23)
InChIKeyGZNTVCSIZSENBG-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.12
Rot. Bonds4

About methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate

methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate (PubChem CID 86997342) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate
PubChem CID86997342
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Namemethyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate
SMILESCOC(=O)c1cccc(C)c1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H19NO3/c1-14-7-5-12-18(21(24)25-2)20(14)22-19(23)13-16-10-6-9-15-8-3-4-11-17(15)16/h3-12H,13H2,1-2H3,(H,22,23)
InChIKeyGZNTVCSIZSENBG-UHFFFAOYSA-N
XLogP4.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate
CID 68756461
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625274
dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 7314091
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 2-(2-naphthalen-1-ylacetyl)oxybenzoate
CID 8764296
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945437
methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108945478
methyl 4-[(2-naphthalen-1-ylacetyl)amino]thiophene-2-carboxylate
CID 141275988
N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide
CID 5046552

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate?
The IUPAC name of methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate (CID 86997342) is methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate.
What is the SMILES notation for methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate?
The canonical SMILES for methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate is COC(=O)c1cccc(C)c1NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate?
The InChIKey is GZNTVCSIZSENBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-14-7-5-12-18(21(24)25-2)20(14)22-19(23)13-16-10-6-9-15-8-3-4-11-17(15)16/h3-12H,13H2,1-2H3,(H,22,23).
What are the key properties of methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate?
methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate has a molecular weight of 333.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate is sourced from PubChem (CID 86997342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).