2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate

C19H21NO4 — CID 19171765

IUPAC2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate
SMILESCCOCCOC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-2-23-12-13-24-19(22)16-8-10-17(11-9-16)20-18(21)14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,20,21)
InChIKeyAWIAMYOFOATOQY-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.06
Rot. Bonds8

About 2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate

2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate (PubChem CID 19171765) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Name2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate
PubChem CID19171765
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate
SMILESCCOCCOC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-2-23-12-13-24-19(22)16-8-10-17(11-9-16)20-18(21)14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,20,21)
InChIKeyAWIAMYOFOATOQY-UHFFFAOYSA-N
XLogP3.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate
CID 19172803
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 113098824
ethyl 4-[[2-(3-phenylpropanoylamino)acetyl]amino]benzoate
CID 113000783
2-ethoxyethyl 4-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 19171776
2-ethoxyethyl 4-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]benzoate
CID 19171665
propyl 4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzoate
CID 54812904
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate
CID 19171666
2-ethoxyethyl N-phenylcarbamate
CID 4101389
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of 2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate (CID 19171765) is 2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for 2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for 2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate is CCOCCOC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of 2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate?
The InChIKey is AWIAMYOFOATOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-2-23-12-13-24-19(22)16-8-10-17(11-9-16)20-18(21)14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,20,21).
What are the key properties of 2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate?
2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate has a molecular weight of 327.38 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 4-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 19171765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).