[2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate

C15H14N2O4 — CID 2507436

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H14N2O4/c1-16-15(20)17-13(18)9-21-14(19)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,9H2,1H3,(H2,16,17,18,20)
InChIKeyDWPIKPUCAWYPLP-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.45
Rot. Bonds3

About [2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate

[2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate (PubChem CID 2507436) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate
PubChem CID2507436
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H14N2O4/c1-16-15(20)17-13(18)9-21-14(19)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,9H2,1H3,(H2,16,17,18,20)
InChIKeyDWPIKPUCAWYPLP-UHFFFAOYSA-N
XLogP1.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507385
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7980769
[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561800
[2-(methylcarbamoylamino)-2-oxoethyl] 4-bromobenzoate
CID 2625657
[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627763
[2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 3398800
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018443
[2-(methylcarbamoylamino)-2-oxoethyl] 3-cyanobenzoate
CID 2635537
[2-(3,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980738
[2-(2,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980751
[2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 30344335
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] naphthalene-2-carboxylate
CID 2507620

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate (CID 2507436) is [2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate is CNC(=O)NC(=O)COC(=O)c1ccc2ccccc2c1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate?
The InChIKey is DWPIKPUCAWYPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-16-15(20)17-13(18)9-21-14(19)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,9H2,1H3,(H2,16,17,18,20).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate?
[2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate has a molecular weight of 286.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate is sourced from PubChem (CID 2507436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).