2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate

C15H21NO4 — CID 17339054

IUPAC2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate
SMILESCOCCOC(=O)CCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C15H21NO4/c1-11-4-5-12(2)13(10-11)16-14(17)6-7-15(18)20-9-8-19-3/h4-5,10H,6-9H2,1-3H3,(H,16,17)
InChIKeyLSSVZLHKKFGPPO-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.21
Rot. Bonds7

About 2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate

2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate (PubChem CID 17339054) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate.

Molecular Properties

Compound Name2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate
PubChem CID17339054
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate
SMILESCOCCOC(=O)CCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C15H21NO4/c1-11-4-5-12(2)13(10-11)16-14(17)6-7-15(18)20-9-8-19-3/h4-5,10H,6-9H2,1-3H3,(H,16,17)
InChIKeyLSSVZLHKKFGPPO-UHFFFAOYSA-N
XLogP2.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl 4-(2,5-dimethylanilino)-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

2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate
CID 17339062
[2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate
CID 9067633
3-phenylpropyl 4-[(2,5-dimethylphenyl)carbamothioylamino]-4-oxobutanoate
CID 4934695
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
2-methoxyethyl 4-[(2-bromo-4-methylphenyl)carbamothioylamino]-4-oxobutanoate
CID 54784712
3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
CID 28713053
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934
N-(2,5-dimethylphenyl)-3-(4-fluorophenoxy)propanamide
CID 31847881
N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 3342447
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
2-methoxyethyl 4-[(3,4-dimethylphenyl)carbamothioylamino]-4-oxobutanoate
CID 17338781

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate?
The IUPAC name of 2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate (CID 17339054) is 2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate.
What is the SMILES notation for 2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate?
The canonical SMILES for 2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate is COCCOC(=O)CCC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of 2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate?
The InChIKey is LSSVZLHKKFGPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-4-5-12(2)13(10-11)16-14(17)6-7-15(18)20-9-8-19-3/h4-5,10H,6-9H2,1-3H3,(H,16,17).
What are the key properties of 2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate?
2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate has a molecular weight of 279.34 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-(2,5-dimethylanilino)-4-oxobutanoate is sourced from PubChem (CID 17339054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).