ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate

C16H25NO3 — CID 62541176

IUPACethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate
SMILESCCOC(=O)C(C)(NCCOC)c1cc(C)ccc1C
InChIInChI=1S/C16H25NO3/c1-6-20-15(18)16(4,17-9-10-19-5)14-11-12(2)7-8-13(14)3/h7-8,11,17H,6,9-10H2,1-5H3
InChIKeyURMPGJSHDOSPQI-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.32
Rot. Bonds7

About ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate

ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate (PubChem CID 62541176) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate
PubChem CID62541176
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate
SMILESCCOC(=O)C(C)(NCCOC)c1cc(C)ccc1C
InChIInChI=1S/C16H25NO3/c1-6-20-15(18)16(4,17-9-10-19-5)14-11-12(2)7-8-13(14)3/h7-8,11,17H,6,9-10H2,1-5H3
InChIKeyURMPGJSHDOSPQI-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate
CID 61002169
ethyl 2-(2,5-dimethylphenyl)-2-(prop-2-ynylamino)propanoate
CID 55063389
ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate
CID 61001487
ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate
CID 62540113
ethyl 2-(cyclopentylamino)-2-(2,5-dimethylphenyl)propanoate
CID 60998776
ethyl 2-(2,6-difluorophenyl)-2-(2-methoxyethylamino)propanoate
CID 62539749
ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
CID 62550626
ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 62541881
methyl 2-(2,4-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541892
ethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate
CID 114080606
methyl 2-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)propanoate
CID 62540483
methyl 2-(2-methoxyethylamino)-2-phenylpropanoate
CID 62541706

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate?
The IUPAC name of ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate (CID 62541176) is ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate.
What is the SMILES notation for ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate?
The canonical SMILES for ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate is CCOC(=O)C(C)(NCCOC)c1cc(C)ccc1C.
What is the InChIKey of ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate?
The InChIKey is URMPGJSHDOSPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-20-15(18)16(4,17-9-10-19-5)14-11-12(2)7-8-13(14)3/h7-8,11,17H,6,9-10H2,1-5H3.
What are the key properties of ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate?
ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate has a molecular weight of 279.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate is sourced from PubChem (CID 62541176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).