methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate

C16H23NO3 — CID 82349363

IUPACmethyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate
SMILESCCCc1ccc(C(=O)C(CC(=O)OC)NCC)cc1
InChIInChI=1S/C16H23NO3/c1-4-6-12-7-9-13(10-8-12)16(19)14(17-5-2)11-15(18)20-3/h7-10,14,17H,4-6,11H2,1-3H3
InChIKeyVWESQPJFCJMPGG-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.36
Rot. Bonds8

About methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate

methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate (PubChem CID 82349363) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate
PubChem CID82349363
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate
SMILESCCCc1ccc(C(=O)C(CC(=O)OC)NCC)cc1
InChIInChI=1S/C16H23NO3/c1-4-6-12-7-9-13(10-8-12)16(19)14(17-5-2)11-15(18)20-3/h7-10,14,17H,4-6,11H2,1-3H3
InChIKeyVWESQPJFCJMPGG-UHFFFAOYSA-N
XLogP2.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)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

methyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate
CID 82349366
methyl 3-(ethylamino)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 82347855
methyl 4-(4-methylphenyl)-4-oxo-3-(propylamino)butanoate
CID 82347471
ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate
CID 82322076
2,2-dimethoxy-1-(4-propylphenyl)ethanone
CID 79493319
methyl 3-(tert-butylamino)-4-(4-ethylphenyl)-4-oxobutanoate
CID 82347719
2-methyl-1-(4-propylphenyl)propan-1-one
CID 14770313
methyl 4-oxo-4-(4-propylphenyl)butanoate
CID 82116427
methyl 3-(cyclopropylamino)-4-(4-ethylphenyl)-4-oxobutanoate
CID 82347728
methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate
CID 55084996
methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate
CID 82349375
methyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate
CID 82351588

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate?
The IUPAC name of methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate (CID 82349363) is methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate.
What is the SMILES notation for methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate?
The canonical SMILES for methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate is CCCc1ccc(C(=O)C(CC(=O)OC)NCC)cc1.
What is the InChIKey of methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate?
The InChIKey is VWESQPJFCJMPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-6-12-7-9-13(10-8-12)16(19)14(17-5-2)11-15(18)20-3/h7-10,14,17H,4-6,11H2,1-3H3.
What are the key properties of methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate?
methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate has a molecular weight of 277.36 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate is sourced from PubChem (CID 82349363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).