[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate

C21H25NO4 — CID 2680578

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate
SMILESCC(C)COc1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H25NO4/c1-16(2)14-25-19-10-8-18(9-11-19)21(24)26-15-20(23)22-13-12-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,22,23)
InChIKeyJHTWYNZKNYPBBH-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.24
Rot. Bonds9

About [2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate

[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate (PubChem CID 2680578) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate
PubChem CID2680578
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate
SMILESCC(C)COc1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H25NO4/c1-16(2)14-25-19-10-8-18(9-11-19)21(24)26-15-20(23)22-13-12-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,22,23)
InChIKeyJHTWYNZKNYPBBH-UHFFFAOYSA-N
XLogP3.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)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

[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropyl)benzoate
CID 8538238
2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide
CID 54820433
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(4-acetyloxyphenyl)benzoate
CID 7373706
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(2-methylpropoxy)benzoate
CID 2680608
[2-oxo-2-(2-phenylethylamino)ethyl] 4-chlorobenzoate
CID 2714989
[2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate
CID 3483038
[2-oxo-2-(2-phenylethylamino)ethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 3453906
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate
CID 9011270
2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441
N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119548271
[2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 2680572
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194340

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate (CID 2680578) is [2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate is CC(C)COc1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate?
The InChIKey is JHTWYNZKNYPBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-16(2)14-25-19-10-8-18(9-11-19)21(24)26-15-20(23)22-13-12-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,22,23).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate has a molecular weight of 355.43 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 4-(2-methylpropoxy)benzoate is sourced from PubChem (CID 2680578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).