(2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate

C19H21NO4 — CID 7147829

IUPAC(2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate
SMILESCc1ccc(OCCCC(=O)OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-15-9-11-17(12-10-15)23-13-5-8-19(22)24-14-18(21)20-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,21)
InChIKeyCRJUUWABFDWHTA-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.34
Rot. Bonds8

About (2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate

(2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate (PubChem CID 7147829) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate
PubChem CID7147829
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate
SMILESCc1ccc(OCCCC(=O)OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-15-9-11-17(12-10-15)23-13-5-8-19(22)24-14-18(21)20-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,21)
InChIKeyCRJUUWABFDWHTA-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate 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-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139564
[2-(3-methoxyanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588862
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-phenoxybutanoate
CID 7185737
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-phenoxybutanoate
CID 7186295
[2-(4-butylanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7729358
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(4-methylphenoxy)butanoate
CID 7147730
[2-(3-cyanoanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 2095980
[2-(3-acetamidoanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7147989
[2-(3-methylanilino)-2-oxoethyl] 4-(3-bromophenoxy)butanoate
CID 7212127
[2-(4-tert-butylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841562
3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
CID 18276176
[2-(3-chloroanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7167454

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate?
The IUPAC name of (2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate (CID 7147829) is (2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate is Cc1ccc(OCCCC(=O)OCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate?
The InChIKey is CRJUUWABFDWHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-15-9-11-17(12-10-15)23-13-5-8-19(22)24-14-18(21)20-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,21).
What are the key properties of (2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate?
(2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate has a molecular weight of 327.38 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate is sourced from PubChem (CID 7147829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).