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

Name: Ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₂₇NO₃ — CID 65233555

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate
PubChem CID	65233555
Molecular Formula	C₁₇H₂₇NO₃
Molecular Weight	293.41 g/mol
Exact Mass	293.20
IUPAC Name	ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate
SMILES	CCCOc1ccc(C(C)(CC(=O)OCC)NCC)cc1
InChI	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
InChIKey	BNEUBXZBDZMHLE-UHFFFAOYSA-N
XLogP	3.25
TPSA	47.56 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	9
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.41
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 65233555 — identifiers, structure, computed properties (public domain)

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