3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide

C15H23ClN2O2 — CID 108789454

IUPAC3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-3-18(4-2)11-10-17-15(19)9-12-20-14-8-6-5-7-13(14)16/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyZIUVASPPLRVNDO-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.57
Rot. Bonds9

About 3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide

3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide (PubChem CID 108789454) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide
PubChem CID108789454
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-3-18(4-2)11-10-17-15(19)9-12-20-14-8-6-5-7-13(14)16/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyZIUVASPPLRVNDO-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
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3-[3-(2-chlorophenoxy)propanoylamino]-2-methylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide (CID 108789454) is 3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide is CCN(CC)CCNC(=O)CCOc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide?
The InChIKey is ZIUVASPPLRVNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-3-18(4-2)11-10-17-15(19)9-12-20-14-8-6-5-7-13(14)16/h5-8H,3-4,9-12H2,1-2H3,(H,17,19).
What are the key properties of 3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide?
3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide has a molecular weight of 298.81 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide is sourced from PubChem (CID 108789454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).