ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate

C16H25NO3 — CID 61025459

IUPACethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C(C)(NC(C)CC)c1ccc(OC)cc1
InChIInChI=1S/C16H25NO3/c1-6-12(3)17-16(4,15(18)20-7-2)13-8-10-14(19-5)11-9-13/h8-12,17H,6-7H2,1-5H3
InChIKeyJMIHXSLBUKIXOC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.86
Rot. Bonds7

About ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate

ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate (PubChem CID 61025459) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate
PubChem CID61025459
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C(C)(NC(C)CC)c1ccc(OC)cc1
InChIInChI=1S/C16H25NO3/c1-6-12(3)17-16(4,15(18)20-7-2)13-8-10-14(19-5)11-9-13/h8-12,17H,6-7H2,1-5H3
InChIKeyJMIHXSLBUKIXOC-UHFFFAOYSA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate 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 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
CID 54907922
ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate
CID 54907921
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate
CID 60786846
methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 60786327
ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 61025042
ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 60788346
ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate
CID 60788348
2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid
CID 61024139
ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate
CID 61025629
ethyl 2-amino-2-(4-methoxyphenyl)butanoate
CID 5027941
ethyl 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)butanoate
CID 10945637

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate (CID 61025459) is ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate is CCOC(=O)C(C)(NC(C)CC)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate?
The InChIKey is JMIHXSLBUKIXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-12(3)17-16(4,15(18)20-7-2)13-8-10-14(19-5)11-9-13/h8-12,17H,6-7H2,1-5H3.
What are the key properties of ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate?
ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate has a molecular weight of 279.38 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 61025459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).