dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate

C22H19NO5 — CID 7314091

IUPACdimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C22H19NO5/c1-27-21(25)16-10-11-18(22(26)28-2)19(12-16)23-20(24)13-15-8-5-7-14-6-3-4-9-17(14)15/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyUPWJZAWPTARMKJ-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.59
Rot. Bonds5

About dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate

dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate (PubChem CID 7314091) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate
PubChem CID7314091
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Namedimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C22H19NO5/c1-27-21(25)16-10-11-18(22(26)28-2)19(12-16)23-20(24)13-15-8-5-7-14-6-3-4-9-17(14)15/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyUPWJZAWPTARMKJ-UHFFFAOYSA-N
XLogP3.59
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-(naphthalen-1-ylcarbamoylamino)benzene-1,4-dicarboxylate
CID 108884661
dimethyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,4-dicarboxylate
CID 22388140
methyl 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 86997342
dimethyl 2-[(2-pyridin-3-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 110697209
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
dimethyl 2-[[2-(2,4-dimethyl-1,3-oxazol-5-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 110680206
dimethyl 2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 110688899
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
methyl 3-methyl-4-[[2-(naphthalen-1-ylmethylsulfanyl)acetyl]amino]benzoate
CID 17360507
dimethyl 2-[3-(2,6-dichlorophenyl)propanoylamino]benzene-1,4-dicarboxylate
CID 100601243
methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate
CID 52941226
methyl 4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]benzoate
CID 5393689

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate (CID 7314091) is dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate?
The InChIKey is UPWJZAWPTARMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-27-21(25)16-10-11-18(22(26)28-2)19(12-16)23-20(24)13-15-8-5-7-14-6-3-4-9-17(14)15/h3-12H,13H2,1-2H3,(H,23,24).
What are the key properties of dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate?
dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate has a molecular weight of 377.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 7314091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).