2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide;hydrochloride

C28H35ClN2O2 — CID 10079

IUPAC2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide;hydrochloride
SMILESCCOC(C(=O)N(C)CCN(C)CCc1ccccc1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C28H34N2O2.ClH/c1-4-32-28(25-16-10-6-11-17-25,26-18-12-7-13-19-26)27(31)30(3)23-22-29(2)21-20-24-14-8-5-9-15-24;/h5-19H,4,20-23H2,1-3H3;1H
InChIKeyDQPNQXUUCWOWCK-UHFFFAOYSA-N
MW467.05 g/mol
LogP5.02
Rot. Bonds11

About 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide;hydrochloride

2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide;hydrochloride (PubChem CID 10079) has the molecular formula C28H35ClN2O2 and a molecular weight of 467.05 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide;hydrochloride
PubChem CID10079
Molecular FormulaC28H35ClN2O2
Molecular Weight467.05 g/mol
Exact Mass466.24
IUPAC Name2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide;hydrochloride
SMILESCCOC(C(=O)N(C)CCN(C)CCc1ccccc1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C28H34N2O2.ClH/c1-4-32-28(25-16-10-6-11-17-25,26-18-12-7-13-19-26)27(31)30(3)23-22-29(2)21-20-24-14-8-5-9-15-24;/h5-19H,4,20-23H2,1-3H3;1H
InChIKeyDQPNQXUUCWOWCK-UHFFFAOYSA-N
XLogP5.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.05
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide;hydrochloride?
The IUPAC name of 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide;hydrochloride (CID 10079) is 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide;hydrochloride.
What is the SMILES notation for 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide;hydrochloride?
The canonical SMILES for 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide;hydrochloride is CCOC(C(=O)N(C)CCN(C)CCc1ccccc1)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide;hydrochloride?
The InChIKey is DQPNQXUUCWOWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2.ClH/c1-4-32-28(25-16-10-6-11-17-25,26-18-12-7-13-19-26)27(31)30(3)23-22-29(2)21-20-24-14-8-5-9-15-24;/h5-19H,4,20-23H2,1-3H3;1H.
What are the key properties of 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide;hydrochloride?
2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide;hydrochloride has a molecular weight of 467.05 g/mol, XLogP of 5.02, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-N-[2-[methyl(2-phenylethyl)amino]ethyl]-2,2-diphenylacetamide;hydrochloride is sourced from PubChem (CID 10079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).