2-(diethylamino)-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylacetamide;hydrochloride

C19H33ClN2O2 — CID 24832191

IUPAC2-(diethylamino)-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylacetamide;hydrochloride
SMILESCCN(CC)CC(=O)N(CC)C(C)COc1cc(C)cc(C)c1.Cl
InChIInChI=1S/C19H32N2O2.ClH/c1-7-20(8-2)13-19(22)21(9-3)17(6)14-23-18-11-15(4)10-16(5)12-18;/h10-12,17H,7-9,13-14H2,1-6H3;1H
InChIKeyPUYKQFLVWAPCGH-UHFFFAOYSA-N
MW356.94 g/mol
LogP3.68
Rot. Bonds9

About 2-(diethylamino)-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylacetamide;hydrochloride

2-(diethylamino)-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylacetamide;hydrochloride (PubChem CID 24832191) has the molecular formula C19H33ClN2O2 and a molecular weight of 356.94 g/mol. Its IUPAC name is 2-(diethylamino)-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylacetamide;hydrochloride
PubChem CID24832191
Molecular FormulaC19H33ClN2O2
Molecular Weight356.94 g/mol
Exact Mass356.22
IUPAC Name2-(diethylamino)-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylacetamide;hydrochloride
SMILESCCN(CC)CC(=O)N(CC)C(C)COc1cc(C)cc(C)c1.Cl
InChIInChI=1S/C19H32N2O2.ClH/c1-7-20(8-2)13-19(22)21(9-3)17(6)14-23-18-11-15(4)10-16(5)12-18;/h10-12,17H,7-9,13-14H2,1-6H3;1H
InChIKeyPUYKQFLVWAPCGH-UHFFFAOYSA-N
XLogP3.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.94
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylacetamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylacetamide;hydrochloride (CID 24832191) is 2-(diethylamino)-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylacetamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylacetamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylacetamide;hydrochloride is CCN(CC)CC(=O)N(CC)C(C)COc1cc(C)cc(C)c1.Cl.
What is the InChIKey of 2-(diethylamino)-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylacetamide;hydrochloride?
The InChIKey is PUYKQFLVWAPCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2.ClH/c1-7-20(8-2)13-19(22)21(9-3)17(6)14-23-18-11-15(4)10-16(5)12-18;/h10-12,17H,7-9,13-14H2,1-6H3;1H.
What are the key properties of 2-(diethylamino)-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylacetamide;hydrochloride?
2-(diethylamino)-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylacetamide;hydrochloride has a molecular weight of 356.94 g/mol, XLogP of 3.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylacetamide;hydrochloride is sourced from PubChem (CID 24832191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).