[2-(ethoxycarbonylamino)-2-oxoethyl] naphthalene-1-carboxylate

C16H15NO5 — CID 2128886

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] naphthalene-1-carboxylate
SMILESCCOC(=O)NC(=O)COC(=O)c1cccc2ccccc12
InChIInChI=1S/C16H15NO5/c1-2-21-16(20)17-14(18)10-22-15(19)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,17,18,20)
InChIKeyJQXAHHIVULCVNM-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.27
Rot. Bonds4

About [2-(ethoxycarbonylamino)-2-oxoethyl] naphthalene-1-carboxylate

[2-(ethoxycarbonylamino)-2-oxoethyl] naphthalene-1-carboxylate (PubChem CID 2128886) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] naphthalene-1-carboxylate
PubChem CID2128886
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] naphthalene-1-carboxylate
SMILESCCOC(=O)NC(=O)COC(=O)c1cccc2ccccc12
InChIInChI=1S/C16H15NO5/c1-2-21-16(20)17-14(18)10-22-15(19)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,17,18,20)
InChIKeyJQXAHHIVULCVNM-UHFFFAOYSA-N
XLogP2.27
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 3421461
CID 3421461
CID 5032983
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CID 7472903
CID 7472903
CID 10379181
CID 10379181
CID 2363875
CID 2363875
CID 3938542
CID 3938542
CID 2099276
CID 2099276
CID 2460858
CID 2460858
CID 2553946
CID 2553946
CID 4615124
CID 4615124
CID 18080981
CID 18080981
CID 39603
CID 39603

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] naphthalene-1-carboxylate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] naphthalene-1-carboxylate (CID 2128886) is [2-(ethoxycarbonylamino)-2-oxoethyl] naphthalene-1-carboxylate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] naphthalene-1-carboxylate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] naphthalene-1-carboxylate is CCOC(=O)NC(=O)COC(=O)c1cccc2ccccc12.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] naphthalene-1-carboxylate?
The InChIKey is JQXAHHIVULCVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-2-21-16(20)17-14(18)10-22-15(19)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,17,18,20).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] naphthalene-1-carboxylate?
[2-(ethoxycarbonylamino)-2-oxoethyl] naphthalene-1-carboxylate has a molecular weight of 301.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] naphthalene-1-carboxylate is sourced from PubChem (CID 2128886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).