ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate

C17H27NO3 — CID 62541881

IUPACethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate
SMILESCCOC(=O)C(C)(NCCOC)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-6-21-16(19)17(4,18-11-12-20-5)15-9-7-14(8-10-15)13(2)3/h7-10,13,18H,6,11-12H2,1-5H3
InChIKeyOCZXIUHNHMRFEJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.82
Rot. Bonds8

About ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate

ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate (PubChem CID 62541881) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate
PubChem CID62541881
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nameethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate
SMILESCCOC(=O)C(C)(NCCOC)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-6-21-16(19)17(4,18-11-12-20-5)15-9-7-14(8-10-15)13(2)3/h7-10,13,18H,6,11-12H2,1-5H3
InChIKeyOCZXIUHNHMRFEJ-UHFFFAOYSA-N
XLogP2.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.82
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-(4-propan-2-ylphenyl)-2-(propylamino)propanoate
CID 60796519
ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 60788346
ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541176
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
ethyl 2-(2,6-difluorophenyl)-2-(2-methoxyethylamino)propanoate
CID 62539749
2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 62543812
methyl 2-(2-methoxyethylamino)-2-phenylpropanoate
CID 62541706
ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate
CID 62540113
ethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate
CID 114080606
2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide
CID 62540328
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 60796515
ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate
CID 60795500

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate?
The IUPAC name of ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate (CID 62541881) is ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate.
What is the SMILES notation for ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate?
The canonical SMILES for ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate is CCOC(=O)C(C)(NCCOC)c1ccc(C(C)C)cc1.
What is the InChIKey of ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate?
The InChIKey is OCZXIUHNHMRFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-21-16(19)17(4,18-11-12-20-5)15-9-7-14(8-10-15)13(2)3/h7-10,13,18H,6,11-12H2,1-5H3.
What are the key properties of ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate?
ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate has a molecular weight of 293.41 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate is sourced from PubChem (CID 62541881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).