[2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate

C23H29NO5 — CID 7574754

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate
SMILESCCCCCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C23H29NO5/c1-3-5-6-9-16-28-19-14-12-18(13-15-19)23(26)29-17-22(25)24-20-10-7-8-11-21(20)27-4-2/h7-8,10-15H,3-6,9,16-17H2,1-2H3,(H,24,25)
InChIKeyAMEAGTGAVCPYLD-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.84
Rot. Bonds12

About [2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate

[2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate (PubChem CID 7574754) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate
PubChem CID7574754
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate
SMILESCCCCCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C23H29NO5/c1-3-5-6-9-16-28-19-14-12-18(13-15-19)23(26)29-17-22(25)24-20-10-7-8-11-21(20)27-4-2/h7-8,10-15H,3-6,9,16-17H2,1-2H3,(H,24,25)
InChIKeyAMEAGTGAVCPYLD-UHFFFAOYSA-N
XLogP4.84
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate 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-propan-2-ylanilino)ethyl] 4-hexoxybenzoate
CID 7574753
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-butoxybenzoate
CID 8863539
[2-(2-ethoxyanilino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507923
N-[(2-ethoxyphenyl)carbamothioyl]-4-heptoxybenzamide
CID 4950954
ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211927
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-butoxybenzoate
CID 2585299
methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211925
3-O-[2-(2-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860631
N-(2-ethoxyphenyl)octanamide
CID 4158866
ethyl 4-octoxybenzoate
CID 18955745
ethyl 4-decoxybenzoate
CID 3706251

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate (CID 7574754) is [2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate is CCCCCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2OCC)cc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate?
The InChIKey is AMEAGTGAVCPYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-3-5-6-9-16-28-19-14-12-18(13-15-19)23(26)29-17-22(25)24-20-10-7-8-11-21(20)27-4-2/h7-8,10-15H,3-6,9,16-17H2,1-2H3,(H,24,25).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate?
[2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate has a molecular weight of 399.49 g/mol, XLogP of 4.84, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate is sourced from PubChem (CID 7574754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).