[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate

C20H16N2O4 — CID 30799825

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate
SMILESNC(=O)c1ccc(C(=O)OCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C20H16N2O4/c21-19(24)14-8-10-15(11-9-14)20(25)26-12-18(23)22-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H2,21,24)(H,22,23)
InChIKeyXZUSLGIRUXCBAE-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.73
Rot. Bonds5

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate (PubChem CID 30799825) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate
PubChem CID30799825
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate
SMILESNC(=O)c1ccc(C(=O)OCC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C20H16N2O4/c21-19(24)14-8-10-15(11-9-14)20(25)26-12-18(23)22-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H2,21,24)(H,22,23)
InChIKeyXZUSLGIRUXCBAE-UHFFFAOYSA-N
XLogP2.73
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate 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-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate
CID 2629383
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-formylbenzoate
CID 2427225
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386534
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557649
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7769208
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7468253
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate
CID 4257120
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891494
[2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 733915
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 2400883
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193993

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate (CID 30799825) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate is NC(=O)c1ccc(C(=O)OCC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate?
The InChIKey is XZUSLGIRUXCBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c21-19(24)14-8-10-15(11-9-14)20(25)26-12-18(23)22-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H2,21,24)(H,22,23).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate has a molecular weight of 348.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate is sourced from PubChem (CID 30799825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).