(2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate

C20H17NO3 — CID 16595235

IUPAC(2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate
SMILESNC(=O)C(OC(=O)Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H17NO3/c21-20(23)19(15-8-2-1-3-9-15)24-18(22)13-16-11-6-10-14-7-4-5-12-17(14)16/h1-12,19H,13H2,(H2,21,23)
InChIKeyGWBOZJKXIXBGGD-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.15
Rot. Bonds5

About (2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate

(2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate (PubChem CID 16595235) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate
PubChem CID16595235
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate
SMILESNC(=O)C(OC(=O)Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H17NO3/c21-20(23)19(15-8-2-1-3-9-15)24-18(22)13-16-11-6-10-14-7-4-5-12-17(14)16/h1-12,19H,13H2,(H2,21,23)
InChIKeyGWBOZJKXIXBGGD-UHFFFAOYSA-N
XLogP3.15
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate 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-amino-2-oxo-1-phenylethyl) 2-(2-methoxy-5-methylphenyl)acetate
CID 47017673
3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
CID 7503589
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
(2-methoxyphenyl) 2-naphthalen-1-ylacetate
CID 836864
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
2-naphthalen-1-ylacetamide;prop-2-enoic acid
CID 174797435
[(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32935657
(2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate
CID 57042623
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-naphthalen-1-ylacetate
CID 7867083
(2-amino-2-oxo-1-phenylethyl) 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoate
CID 16581766
formyl 2-naphthalen-1-ylacetate
CID 57137392
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate (CID 16595235) is (2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate is NC(=O)C(OC(=O)Cc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate?
The InChIKey is GWBOZJKXIXBGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c21-20(23)19(15-8-2-1-3-9-15)24-18(22)13-16-11-6-10-14-7-4-5-12-17(14)16/h1-12,19H,13H2,(H2,21,23).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate?
(2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate has a molecular weight of 319.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) 2-naphthalen-1-ylacetate is sourced from PubChem (CID 16595235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).