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

C17H27NO2 — CID 60796519

IUPACethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate
SMILESCCCNC(C)(C(=O)OCC)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-6-12-18-17(5,16(19)20-7-2)15-10-8-14(9-11-15)13(3)4/h8-11,13,18H,6-7,12H2,1-5H3
InChIKeyXVEDHCURFFIXKO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.59
Rot. Bonds7

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

ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate (PubChem CID 60796519) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate
PubChem CID60796519
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate
SMILESCCCNC(C)(C(=O)OCC)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-6-12-18-17(5,16(19)20-7-2)15-10-8-14(9-11-15)13(3)4/h8-11,13,18H,6-7,12H2,1-5H3
InChIKeyXVEDHCURFFIXKO-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 62541881
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 60796515
ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 60788346
ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate
CID 60795500
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
ethyl 2-(4-methylsulfonylphenyl)-2-(propylamino)propanoate
CID 60796388
ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
CID 60796649
ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate
CID 60786846
ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate
CID 61001287
ethyl 2-(3-azidopropylamino)-2-(4-chlorophenyl)propanoate
CID 66188930
ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate
CID 79848294
ethyl 3,3-dimethyl-2-(4-propan-2-ylphenyl)butanoate
CID 167383651

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate?
The IUPAC name of ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate (CID 60796519) is ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate.
What is the SMILES notation for ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate?
The canonical SMILES for ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate is CCCNC(C)(C(=O)OCC)c1ccc(C(C)C)cc1.
What is the InChIKey of ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate?
The InChIKey is XVEDHCURFFIXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-12-18-17(5,16(19)20-7-2)15-10-8-14(9-11-15)13(3)4/h8-11,13,18H,6-7,12H2,1-5H3.
What are the key properties of ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate?
ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate has a molecular weight of 277.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate is sourced from PubChem (CID 60796519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).