[2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate

C17H23NO6 — CID 2531730

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate
SMILESCCOc1cc(C(=O)CCC(=O)OCC(=O)NC(C)C)ccc1O
InChIInChI=1S/C17H23NO6/c1-4-23-15-9-12(5-6-14(15)20)13(19)7-8-17(22)24-10-16(21)18-11(2)3/h5-6,9,11,20H,4,7-8,10H2,1-3H3,(H,18,21)
InChIKeyIFLJRMIVQJPKHT-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.82
Rot. Bonds9

About [2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate

[2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate (PubChem CID 2531730) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate
PubChem CID2531730
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate
SMILESCCOc1cc(C(=O)CCC(=O)OCC(=O)NC(C)C)ccc1O
InChIInChI=1S/C17H23NO6/c1-4-23-15-9-12(5-6-14(15)20)13(19)7-8-17(22)24-10-16(21)18-11(2)3/h5-6,9,11,20H,4,7-8,10H2,1-3H3,(H,18,21)
InChIKeyIFLJRMIVQJPKHT-UHFFFAOYSA-N
XLogP1.82
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate 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 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate
CID 103601084
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535255
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581391
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 7712119
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 8588685
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648612
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 9128245
methyl 4-(4-hydroxy-3-propan-2-ylphenyl)-4-oxobutanoate
CID 82550663
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate
CID 40856501
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate
CID 71820840
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971401
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971558

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate (CID 2531730) is [2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate is CCOc1cc(C(=O)CCC(=O)OCC(=O)NC(C)C)ccc1O.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate?
The InChIKey is IFLJRMIVQJPKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-4-23-15-9-12(5-6-14(15)20)13(19)7-8-17(22)24-10-16(21)18-11(2)3/h5-6,9,11,20H,4,7-8,10H2,1-3H3,(H,18,21).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate?
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate has a molecular weight of 337.37 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate is sourced from PubChem (CID 2531730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).