[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

C19H21NO6 — CID 2099049

IUPAC[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESCCOC(=O)CCCNC(=O)COC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C19H21NO6/c1-2-25-18(23)8-5-9-20-17(22)12-26-19(24)15-10-13-6-3-4-7-14(13)11-16(15)21/h3-4,6-7,10-11,21H,2,5,8-9,12H2,1H3,(H,20,22)
InChIKeyRPHJUFZJLLXECE-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.16
Rot. Bonds8

About [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (PubChem CID 2099049) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
PubChem CID2099049
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESCCOC(=O)CCCNC(=O)COC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C19H21NO6/c1-2-25-18(23)8-5-9-20-17(22)12-26-19(24)15-10-13-6-3-4-7-14(13)11-16(15)21/h3-4,6-7,10-11,21H,2,5,8-9,12H2,1H3,(H,20,22)
InChIKeyRPHJUFZJLLXECE-UHFFFAOYSA-N
XLogP2.16
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-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-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2362720
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate
CID 2364511
[2-(2-Methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2369755
[2-(Cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2417959
(2-Morpholin-4-yl-2-oxoethyl) 1-hydroxynaphthalene-2-carboxylate
CID 2558920
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 4126140
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-hydroxynaphthalene-2-carboxylate
CID 4882544
3-Hydroxy-2-naphthalenecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester
CID 2095897
3-Methoxy-2-naphthalenecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester
CID 2347973
(2-Oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate
CID 2388572
[2-[(4-Ethoxy-4-oxobutyl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2407873
[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2998033

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (CID 2099049) is [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is CCOC(=O)CCCNC(=O)COC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is RPHJUFZJLLXECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-2-25-18(23)8-5-9-20-17(22)12-26-19(24)15-10-13-6-3-4-7-14(13)11-16(15)21/h3-4,6-7,10-11,21H,2,5,8-9,12H2,1H3,(H,20,22).
What are the key properties of [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 359.38 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 2099049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).