[2-(N-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate

C20H17NO3 — CID 2336316

IUPAC[2-(N-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate
SMILESCN(C(=O)COC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H17NO3/c1-21(18-9-3-2-4-10-18)19(22)14-24-20(23)17-12-11-15-7-5-6-8-16(15)13-17/h2-13H,14H2,1H3
InChIKeyFECLVIVCHRTFSO-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.66
Rot. Bonds4

About [2-(N-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate

[2-(N-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate (PubChem CID 2336316) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate
PubChem CID2336316
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate
SMILESCN(C(=O)COC(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C20H17NO3/c1-21(18-9-3-2-4-10-18)19(22)14-24-20(23)17-12-11-15-7-5-6-8-16(15)13-17/h2-13H,14H2,1H3
InChIKeyFECLVIVCHRTFSO-UHFFFAOYSA-N
XLogP3.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate (CID 2336316) is [2-(N-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate is CN(C(=O)COC(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate?
The InChIKey is FECLVIVCHRTFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-21(18-9-3-2-4-10-18)19(22)14-24-20(23)17-12-11-15-7-5-6-8-16(15)13-17/h2-13H,14H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate?
[2-(N-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate is sourced from PubChem (CID 2336316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).