2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate

C20H23NO4 — CID 19172803

IUPAC2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate
SMILESCCOCCOC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-2-24-14-15-25-20(23)17-9-11-18(12-10-17)21-19(22)13-8-16-6-4-3-5-7-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,21,22)
InChIKeyDCQREZQCJOKRCG-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.45
Rot. Bonds9

About 2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate

2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate (PubChem CID 19172803) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate.

Molecular Properties

Compound Name2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate
PubChem CID19172803
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate
SMILESCCOCCOC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-2-24-14-15-25-20(23)17-9-11-18(12-10-17)21-19(22)13-8-16-6-4-3-5-7-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,21,22)
InChIKeyDCQREZQCJOKRCG-UHFFFAOYSA-N
XLogP3.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.45
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-[(2-phenylacetyl)amino]benzoate
CID 19171765
propyl 4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzoate
CID 54812904
ethyl 4-[[2-(3-phenylpropanoylamino)acetyl]amino]benzoate
CID 113000783
propyl 4-[3-(4-chlorophenyl)propanoylamino]benzoate
CID 19220847
2-ethoxyethyl 4-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]benzoate
CID 19171665
4-(3-phenylpropanoylamino)benzamide
CID 675903
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide
CID 172856727
ethyl 4-[3-(4-cyanophenyl)propanoylamino]benzoate
CID 41484605
3-phenylpropyl 5-[4-(2-ethoxyethoxy)anilino]-5-oxopentanoate
CID 17130608
ethyl 4-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550864
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate?
The IUPAC name of 2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate (CID 19172803) is 2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate.
What is the SMILES notation for 2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate?
The canonical SMILES for 2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate is CCOCCOC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of 2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate?
The InChIKey is DCQREZQCJOKRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-2-24-14-15-25-20(23)17-9-11-18(12-10-17)21-19(22)13-8-16-6-4-3-5-7-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,21,22).
What are the key properties of 2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate?
2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 4-(3-phenylpropanoylamino)benzoate is sourced from PubChem (CID 19172803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).