ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate

C17H27NO2 — CID 60787163

IUPACethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate
SMILESCCOC(=O)C(C)(NC(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H27NO2/c1-8-20-16(19)17(7,18-11(2)3)15-13(5)9-12(4)10-14(15)6/h9-11,18H,8H2,1-7H3
InChIKeyONTOULSTARKLBY-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.39
Rot. Bonds5

About ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate

ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate (PubChem CID 60787163) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate
PubChem CID60787163
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate
SMILESCCOC(=O)C(C)(NC(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H27NO2/c1-8-20-16(19)17(7,18-11(2)3)15-13(5)9-12(4)10-14(15)6/h9-11,18H,8H2,1-7H3
InChIKeyONTOULSTARKLBY-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate
CID 60788348
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-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
CID 54907922
ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 61025042
ethyl 2,2-difluoro-2-[2-(hydroxymethyl)-4,6-dimethylphenyl]acetate
CID 58660522
ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate
CID 5239443
ethyl 2-(aminomethyl)-3-methyl-2-[(2,4,6-trimethylphenyl)methyl]butanoate
CID 106488625
methyl 3-hydroxy-2-propan-2-yl-3-(2,4,6-trimethylphenyl)butanoate
CID 62395638
ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541176
ethyl 2-(2,5-dimethylphenyl)-2-(prop-2-ynylamino)propanoate
CID 55063389

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate?
The IUPAC name of ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate (CID 60787163) is ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate.
What is the SMILES notation for ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate?
The canonical SMILES for ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate is CCOC(=O)C(C)(NC(C)C)c1c(C)cc(C)cc1C.
What is the InChIKey of ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate?
The InChIKey is ONTOULSTARKLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-8-20-16(19)17(7,18-11(2)3)15-13(5)9-12(4)10-14(15)6/h9-11,18H,8H2,1-7H3.
What are the key properties of ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate?
ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate has a molecular weight of 277.41 g/mol, XLogP of 3.39, 5 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-(2,4,6-trimethylphenyl)propanoate is sourced from PubChem (CID 60787163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).