[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate

C15H15NO3 — CID 2352930

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H15NO3/c1-2-15(18)19-10-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyQIHCEQPCPJDGGH-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.73
Rot. Bonds4

About [2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate

[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate (PubChem CID 2352930) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
PubChem CID2352930
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H15NO3/c1-2-15(18)19-10-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyQIHCEQPCPJDGGH-UHFFFAOYSA-N
XLogP2.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate 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] 3-(2-ethoxyphenyl)propanoate
CID 7524036
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4801728
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147366
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548083
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891494
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019343
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139426
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903061
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799825
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193993
N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
CID 7044052

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate (CID 2352930) is [2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate is CCC(=O)OCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate?
The InChIKey is QIHCEQPCPJDGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-15(18)19-10-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,16,17).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate has a molecular weight of 257.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate is sourced from PubChem (CID 2352930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).