ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate

C15H21NO4 — CID 54351907

IUPACethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC(C)CCc1ccc(OC)cc1
InChIInChI=1S/C15H21NO4/c1-4-20-15(18)14(17)16-11(2)5-6-12-7-9-13(19-3)10-8-12/h7-11H,4-6H2,1-3H3,(H,16,17)
InChIKeyUGJCURQWGZCESM-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.70
Rot. Bonds6

About ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate

ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate (PubChem CID 54351907) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
PubChem CID54351907
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nameethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC(C)CCc1ccc(OC)cc1
InChIInChI=1S/C15H21NO4/c1-4-20-15(18)14(17)16-11(2)5-6-12-7-9-13(19-3)10-8-12/h7-11H,4-6H2,1-3H3,(H,16,17)
InChIKeyUGJCURQWGZCESM-UHFFFAOYSA-N
XLogP1.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate 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-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664
1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea
CID 95192114
ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate
CID 66289830
ethyl 2-[[(2S)-3-(4-methoxyphenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 124927682
1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide
CID 119288107
methyl (2S)-2-[4-(4-methoxyphenyl)butan-2-ylamino]-3-methylbutanoate
CID 43776073
ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate
CID 10015086
1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea
CID 52505199
2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide
CID 139899503
2-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974965
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate (CID 54351907) is ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate is CCOC(=O)C(=O)NC(C)CCc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate?
The InChIKey is UGJCURQWGZCESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-20-15(18)14(17)16-11(2)5-6-12-7-9-13(19-3)10-8-12/h7-11H,4-6H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate?
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate has a molecular weight of 279.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate is sourced from PubChem (CID 54351907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).