[2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate

C17H19NO3 — CID 2507385

IUPAC[2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate
SMILESCC(C)(C)NC(=O)COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-17(2,3)18-15(19)11-21-16(20)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyGFDRYJCUFHCQEF-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.91
Rot. Bonds3

About [2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate

[2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate (PubChem CID 2507385) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate
PubChem CID2507385
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate
SMILESCC(C)(C)NC(=O)COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO3/c1-17(2,3)18-15(19)11-21-16(20)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyGFDRYJCUFHCQEF-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018400
[2-(tert-butylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2602250
[2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507436
[2-(tert-butylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504289
[2-(tert-butylamino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2693137
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018443
[2-(tert-butylamino)-2-oxoethyl] 4-amino-3-nitrobenzoate
CID 7781473
[2-(3,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980738
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507285
[2-(tert-butylamino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 2520230
[2-(2,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980751
[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-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate (CID 2507385) is [2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate is CC(C)(C)NC(=O)COC(=O)c1ccc2ccccc2c1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate?
The InChIKey is GFDRYJCUFHCQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(2,3)18-15(19)11-21-16(20)14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate?
[2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate is sourced from PubChem (CID 2507385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).