ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate

C17H27NO3 — CID 65233555

IUPACethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate
SMILESCCCOc1ccc(C(C)(CC(=O)OCC)NCC)cc1
InChIInChI=1S/C17H27NO3/c1-5-12-21-15-10-8-14(9-11-15)17(4,18-6-2)13-16(19)20-7-3/h8-11,18H,5-7,12-13H2,1-4H3
InChIKeyBNEUBXZBDZMHLE-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.25
Rot. Bonds9

About ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate

ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate (PubChem CID 65233555) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate.

Molecular Properties

Compound Nameethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate
PubChem CID65233555
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nameethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate
SMILESCCCOc1ccc(C(C)(CC(=O)OCC)NCC)cc1
InChIInChI=1S/C17H27NO3/c1-5-12-21-15-10-8-14(9-11-15)17(4,18-6-2)13-16(19)20-7-3/h8-11,18H,5-7,12-13H2,1-4H3
InChIKeyBNEUBXZBDZMHLE-UHFFFAOYSA-N
XLogP3.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-3-(4-propoxyphenyl)butanamide
CID 65234068
3-(4-ethoxyphenyl)-3-(ethylamino)butanoic acid
CID 65233871
ethyl 2,2-difluoro-2-(4-propoxyphenyl)acetate
CID 55120663
ethyl 3-(4-ethoxyphenyl)-3-hydroxybutanoate
CID 55071355
methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate
CID 65235254
ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate
CID 65236089
ethyl 3-oxo-3-(4-propoxyphenyl)propanoate
CID 10682113
ethyl 2-ethyl-3-hydroxy-3-(4-propoxyphenyl)butanoate
CID 62394724
2-(4-ethoxyphenyl)-2-(ethylamino)propan-1-ol
CID 61050322
ethyl 6-(4-tert-butylphenoxy)hexanoate
CID 59210875
ethyl 3-(4-fluorophenyl)-3-(methylamino)butanoate
CID 65236908
1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
CID 11481238

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate?
The IUPAC name of ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate (CID 65233555) is ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate.
What is the SMILES notation for ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate?
The canonical SMILES for ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate is CCCOc1ccc(C(C)(CC(=O)OCC)NCC)cc1.
What is the InChIKey of ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate?
The InChIKey is BNEUBXZBDZMHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-12-21-15-10-8-14(9-11-15)17(4,18-6-2)13-16(19)20-7-3/h8-11,18H,5-7,12-13H2,1-4H3.
What are the key properties of ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate?
ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate has a molecular weight of 293.41 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate is sourced from PubChem (CID 65233555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).