ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate

C17H19NO5 — CID 4158444

IUPACethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate
SMILESCCOC(=O)CNC(=O)OCCOc1ccc2ccccc2c1
InChIInChI=1S/C17H19NO5/c1-2-21-16(19)12-18-17(20)23-10-9-22-15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11H,2,9-10,12H2,1H3,(H,18,20)
InChIKeyFYOPVHBMBARIDC-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.51
Rot. Bonds7

About ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate

ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate (PubChem CID 4158444) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate
PubChem CID4158444
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Nameethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate
SMILESCCOC(=O)CNC(=O)OCCOc1ccc2ccccc2c1
InChIInChI=1S/C17H19NO5/c1-2-21-16(19)12-18-17(20)23-10-9-22-15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11H,2,9-10,12H2,1H3,(H,18,20)
InChIKeyFYOPVHBMBARIDC-UHFFFAOYSA-N
XLogP2.51
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate 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

ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
N-(2-amino-2-ethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 119639639
2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate
CID 148869293
2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 7881097
benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate
CID 7980506
ethyl 2-(propoxycarbonylamino)acetate
CID 6422290
naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 57153097
1-(2-naphthalen-2-yloxyethyl)-3-propylurea
CID 95904010
2-(4-dodecylphenoxy)ethyl 2-(phenoxycarbonylamino)acetate
CID 21307402
2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807719
ethyl 2-(1-naphthalen-2-ylethylamino)acetate
CID 60680493
2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 40778027

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate?
The IUPAC name of ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate (CID 4158444) is ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate.
What is the SMILES notation for ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate?
The canonical SMILES for ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate is CCOC(=O)CNC(=O)OCCOc1ccc2ccccc2c1.
What is the InChIKey of ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate?
The InChIKey is FYOPVHBMBARIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-2-21-16(19)12-18-17(20)23-10-9-22-15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11H,2,9-10,12H2,1H3,(H,18,20).
What are the key properties of ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate?
ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate has a molecular weight of 317.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate is sourced from PubChem (CID 4158444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).