[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate

C18H18N2O6 — CID 7881303

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESCCOC(=O)NC(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H18N2O6/c1-2-25-18(24)20-15(21)11-26-16(22)10-19-17(23)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,2,10-11H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyBJPHGIAYKHLIPI-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.39
Rot. Bonds6

About [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate (PubChem CID 7881303) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
PubChem CID7881303
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESCCOC(=O)NC(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H18N2O6/c1-2-25-18(24)20-15(21)11-26-16(22)10-19-17(23)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,2,10-11H2,1H3,(H,19,23)(H,20,21,24)
InChIKeyBJPHGIAYKHLIPI-UHFFFAOYSA-N
XLogP1.39
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate 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

ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885139
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877735
[2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573841
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573777
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881567
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881701
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8521801
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881074
ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate
CID 144557460
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881080
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881034

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate (CID 7881303) is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate is CCOC(=O)NC(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The InChIKey is BJPHGIAYKHLIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-2-25-18(24)20-15(21)11-26-16(22)10-19-17(23)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,2,10-11H2,1H3,(H,19,23)(H,20,21,24).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate has a molecular weight of 358.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate is sourced from PubChem (CID 7881303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).