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

C17H27NO2 — CID 60788346

IUPACethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate
SMILESCCOC(=O)C(C)(NC(C)C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-7-20-16(19)17(6,18-13(4)5)15-10-8-14(9-11-15)12(2)3/h8-13,18H,7H2,1-6H3
InChIKeyWLBPIIMUFHHRMY-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.59
Rot. Bonds6

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

ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate (PubChem CID 60788346) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate
PubChem CID60788346
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate
SMILESCCOC(=O)C(C)(NC(C)C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-7-20-16(19)17(6,18-13(4)5)15-10-8-14(9-11-15)12(2)3/h8-13,18H,7H2,1-6H3
InChIKeyWLBPIIMUFHHRMY-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate
CID 60786846
ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate
CID 60796519
ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate
CID 60788348
ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 62541881
ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
CID 54907922
ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate
CID 54907921
ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate
CID 61025459
ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate
CID 79848294
ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate
CID 60787163
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 60786327
ethyl 3,3-dimethyl-2-(4-propan-2-ylphenyl)butanoate
CID 167383651

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate?
The IUPAC name of ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate (CID 60788346) is ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate.
What is the SMILES notation for ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate?
The canonical SMILES for ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate is CCOC(=O)C(C)(NC(C)C)c1ccc(C(C)C)cc1.
What is the InChIKey of ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate?
The InChIKey is WLBPIIMUFHHRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-7-20-16(19)17(6,18-13(4)5)15-10-8-14(9-11-15)12(2)3/h8-13,18H,7H2,1-6H3.
What are the key properties of ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate?
ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate has a molecular weight of 277.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate is sourced from PubChem (CID 60788346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).