phenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate

C17H17NO4 — CID 20565565

IUPACphenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate
SMILESCCOC(=O)CNc1cccc(C(=O)Oc2ccccc2)c1
InChIInChI=1S/C17H17NO4/c1-2-21-16(19)12-18-14-8-6-7-13(11-14)17(20)22-15-9-4-3-5-10-15/h3-11,18H,2,12H2,1H3
InChIKeyPHDINBXLTUBIRU-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.88
Rot. Bonds6

About phenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate

phenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate (PubChem CID 20565565) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is phenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate.

Molecular Properties

Compound Namephenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate
PubChem CID20565565
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namephenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate
SMILESCCOC(=O)CNc1cccc(C(=O)Oc2ccccc2)c1
InChIInChI=1S/C17H17NO4/c1-2-21-16(19)12-18-14-8-6-7-13(11-14)17(20)22-15-9-4-3-5-10-15/h3-11,18H,2,12H2,1H3
InChIKeyPHDINBXLTUBIRU-UHFFFAOYSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze phenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate 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 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate
CID 162365695
3-[(2-ethoxy-2-oxoethyl)amino]benzoate
CID 4063762
ethyl 2-(3-hydroxyanilino)acetate
CID 22630327
methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
CID 22080521
ethyl 3-(2,2-dimethylpropylamino)benzoate
CID 61325546
ethyl 3-[[2-(2-methylhydrazinyl)-2-oxoethyl]amino]benzoate
CID 162366038
(4-methoxycarbonylphenyl) 3-(ethoxycarbonylamino)benzoate
CID 26689674
methyl 3-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
CID 108999033
ethyl 3-(3-carbamoylanilino)propanoate
CID 114003548
(4-benzamidophenyl) 3-ethoxybenzoate
CID 55883088
phenyl 3-[(4-methylphenyl)sulfonylamino]benzoate
CID 71676330
phenyl 3-(2-methylbutanoyloxy)benzoate
CID 59817149

Frequently Asked Questions

What is the IUPAC name of phenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate?
The IUPAC name of phenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate (CID 20565565) is phenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate.
What is the SMILES notation for phenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate?
The canonical SMILES for phenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate is CCOC(=O)CNc1cccc(C(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate?
The InChIKey is PHDINBXLTUBIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-21-16(19)12-18-14-8-6-7-13(11-14)17(20)22-15-9-4-3-5-10-15/h3-11,18H,2,12H2,1H3.
What are the key properties of phenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate?
phenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate has a molecular weight of 299.33 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate is sourced from PubChem (CID 20565565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).