2-(diethylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide;hydrochloride

C16H27ClN2O2 — CID 3060137

IUPAC2-(diethylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide;hydrochloride
SMILESCCN(CC)CC(=O)N(C)CCOc1cccc(C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-5-18(6-2)13-16(19)17(4)10-11-20-15-9-7-8-14(3)12-15;/h7-9,12H,5-6,10-11,13H2,1-4H3;1H
InChIKeyDNLDVIFXAFIRPO-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.60
Rot. Bonds8

About 2-(diethylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide;hydrochloride

2-(diethylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide;hydrochloride (PubChem CID 3060137) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 2-(diethylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide;hydrochloride
PubChem CID3060137
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name2-(diethylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide;hydrochloride
SMILESCCN(CC)CC(=O)N(C)CCOc1cccc(C)c1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-5-18(6-2)13-16(19)17(4)10-11-20-15-9-7-8-14(3)12-15;/h7-9,12H,5-6,10-11,13H2,1-4H3;1H
InChIKeyDNLDVIFXAFIRPO-UHFFFAOYSA-N
XLogP2.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide;hydrochloride (CID 3060137) is 2-(diethylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide;hydrochloride is CCN(CC)CC(=O)N(C)CCOc1cccc(C)c1.Cl.
What is the InChIKey of 2-(diethylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide;hydrochloride?
The InChIKey is DNLDVIFXAFIRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-5-18(6-2)13-16(19)17(4)10-11-20-15-9-7-8-14(3)12-15;/h7-9,12H,5-6,10-11,13H2,1-4H3;1H.
What are the key properties of 2-(diethylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide;hydrochloride?
2-(diethylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 3060137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).