2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide

C20H34ClN3O2 — CID 14433

IUPAC2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCN(CCN(CC)CC)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H34ClN3O2/c1-5-22(6-2)13-15-24(16-14-23(7-3)8-4)20(25)17-26-19-11-9-18(21)10-12-19/h9-12H,5-8,13-17H2,1-4H3
InChIKeyTUKRGHXMYUQLKZ-UHFFFAOYSA-N
MW383.96 g/mol
LogP3.23
Rot. Bonds13

About 2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide

2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide (PubChem CID 14433) has the molecular formula C20H34ClN3O2 and a molecular weight of 383.96 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide
PubChem CID14433
Molecular FormulaC20H34ClN3O2
Molecular Weight383.96 g/mol
Exact Mass383.23
IUPAC Name2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide
SMILESCCN(CC)CCN(CCN(CC)CC)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H34ClN3O2/c1-5-22(6-2)13-15-24(16-14-23(7-3)8-4)20(25)17-26-19-11-9-18(21)10-12-19/h9-12H,5-8,13-17H2,1-4H3
InChIKeyTUKRGHXMYUQLKZ-UHFFFAOYSA-N
XLogP3.23
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.96
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide (CID 14433) is 2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide is CCN(CC)CCN(CCN(CC)CC)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide?
The InChIKey is TUKRGHXMYUQLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34ClN3O2/c1-5-22(6-2)13-15-24(16-14-23(7-3)8-4)20(25)17-26-19-11-9-18(21)10-12-19/h9-12H,5-8,13-17H2,1-4H3.
What are the key properties of 2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide?
2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide has a molecular weight of 383.96 g/mol, XLogP of 3.23, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N,N-bis[2-(diethylamino)ethyl]acetamide is sourced from PubChem (CID 14433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).