ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate

C16H25NO2 — CID 60788348

IUPACethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)(NC(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C16H25NO2/c1-7-19-15(18)16(6,17-11(2)3)14-9-8-12(4)13(5)10-14/h8-11,17H,7H2,1-6H3
InChIKeyCPGYMAICNMNHAT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.08
Rot. Bonds5

About ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate

ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate (PubChem CID 60788348) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate
PubChem CID60788348
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nameethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)(NC(C)C)c1ccc(C)c(C)c1
InChIInChI=1S/C16H25NO2/c1-7-19-15(18)16(6,17-11(2)3)14-9-8-12(4)13(5)10-14/h8-11,17H,7H2,1-6H3
InChIKeyCPGYMAICNMNHAT-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)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-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate
CID 60786846
ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 60788346
ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate
CID 60787163
ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
CID 54907922
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
ethyl 2-(2-azidoethylamino)-2-(3,4-dimethylphenyl)propanoate
CID 66189056
ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate
CID 54907921
ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate
CID 61025459
methyl 2-(3,4-difluorophenyl)-2-(propan-2-ylamino)propanoate
CID 54919578
ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate
CID 60796519
ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 61025042
ethyl 2-(4-fluorophenyl)-2-(propan-2-ylamino)butanoate
CID 60786506

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate (CID 60788348) is ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate is CCOC(=O)C(C)(NC(C)C)c1ccc(C)c(C)c1.
What is the InChIKey of ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate?
The InChIKey is CPGYMAICNMNHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-7-19-15(18)16(6,17-11(2)3)14-9-8-12(4)13(5)10-14/h8-11,17H,7H2,1-6H3.
What are the key properties of ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate?
ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate has a molecular weight of 263.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 60788348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).