[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] furan-2-carboxylate

C19H17NO4 — CID 2362060

IUPAC[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] furan-2-carboxylate
SMILESCCN(C(=O)COC(=O)c1ccco1)c1cccc2ccccc12
InChIInChI=1S/C19H17NO4/c1-2-20(16-10-5-8-14-7-3-4-9-15(14)16)18(21)13-24-19(22)17-11-6-12-23-17/h3-12H,2,13H2,1H3
InChIKeyQRXUYGDVTKPQSW-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.64
Rot. Bonds5

About [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] furan-2-carboxylate

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] furan-2-carboxylate (PubChem CID 2362060) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] furan-2-carboxylate
PubChem CID2362060
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] furan-2-carboxylate
SMILESCCN(C(=O)COC(=O)c1ccco1)c1cccc2ccccc12
InChIInChI=1S/C19H17NO4/c1-2-20(16-10-5-8-14-7-3-4-9-15(14)16)18(21)13-24-19(22)17-11-6-12-23-17/h3-12H,2,13H2,1H3
InChIKeyQRXUYGDVTKPQSW-UHFFFAOYSA-N
XLogP3.64
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] furan-2-carboxylate (CID 2362060) is [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] furan-2-carboxylate is CCN(C(=O)COC(=O)c1ccco1)c1cccc2ccccc12.
What is the InChIKey of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is QRXUYGDVTKPQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-20(16-10-5-8-14-7-3-4-9-15(14)16)18(21)13-24-19(22)17-11-6-12-23-17/h3-12H,2,13H2,1H3.
What are the key properties of [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] furan-2-carboxylate?
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 2362060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).