[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate

C19H16N2O3 — CID 21232723

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate
SMILESNc1cccc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H16N2O3/c20-16-7-3-6-15(10-16)19(23)24-12-18(22)21-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12,20H2,(H,21,22)
InChIKeyCXYQJDJPHZREAB-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.22
Rot. Bonds4

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate (PubChem CID 21232723) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate
PubChem CID21232723
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate
SMILESNc1cccc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H16N2O3/c20-16-7-3-6-15(10-16)19(23)24-12-18(22)21-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12,20H2,(H,21,22)
InChIKeyCXYQJDJPHZREAB-UHFFFAOYSA-N
XLogP3.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204721
N-(3-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16788601
[2-(3,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980738
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149341
[2-(3,4-diethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7698271
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-aminobenzoate
CID 23943551
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3-aminobenzoate
CID 25049242
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582238
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-naphthalen-2-yl-2-[2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]phenoxy]acetamide
CID 10528581
[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7697986

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate (CID 21232723) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate is Nc1cccc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate?
The InChIKey is CXYQJDJPHZREAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c20-16-7-3-6-15(10-16)19(23)24-12-18(22)21-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12,20H2,(H,21,22).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate has a molecular weight of 320.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-aminobenzoate is sourced from PubChem (CID 21232723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).