benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate

C21H19NO4 — CID 7980506

IUPACbenzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate
SMILESO=C(COc1ccc2ccccc2c1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C21H19NO4/c23-20(22-13-21(24)26-14-16-6-2-1-3-7-16)15-25-19-11-10-17-8-4-5-9-18(17)12-19/h1-12H,13-15H2,(H,22,23)
InChIKeyKVJMGTQOGKYGAH-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.08
Rot. Bonds7

About benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate

benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate (PubChem CID 7980506) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate
PubChem CID7980506
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Namebenzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate
SMILESO=C(COc1ccc2ccccc2c1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C21H19NO4/c23-20(22-13-21(24)26-14-16-6-2-1-3-7-16)15-25-19-11-10-17-8-4-5-9-18(17)12-19/h1-12H,13-15H2,(H,22,23)
InChIKeyKVJMGTQOGKYGAH-UHFFFAOYSA-N
XLogP3.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate?
The IUPAC name of benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate (CID 7980506) is benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate?
The canonical SMILES for benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate is O=C(COc1ccc2ccccc2c1)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate?
The InChIKey is KVJMGTQOGKYGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c23-20(22-13-21(24)26-14-16-6-2-1-3-7-16)15-25-19-11-10-17-8-4-5-9-18(17)12-19/h1-12H,13-15H2,(H,22,23).
What are the key properties of benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate?
benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate has a molecular weight of 349.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate is sourced from PubChem (CID 7980506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).