2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid

C14H22N2O — CID 209462

IUPAC2-(diethylamino)-N-(1-phenylethyl)acetamide
SMILESCCN(CC)CC(=O)NC(C)C1=CC=CC=C1
InChIInChI=1S/C14H22N2O/c1-4-16(5-2)11-14(17)15-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,15,17)
InChIKeyZJEFTFVSZKSNPH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.20
Rot. Bonds6

About 2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid

2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid (PubChem CID 209462) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(diethylamino)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
PubChem CID209462
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(diethylamino)-N-(1-phenylethyl)acetamide
SMILESCCN(CC)CC(=O)NC(C)C1=CC=CC=C1
InChIInChI=1S/C14H22N2O/c1-4-16(5-2)11-14(17)15-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,15,17)
InChIKeyZJEFTFVSZKSNPH-UHFFFAOYSA-N
XLogP2.20
TPSA32.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity220

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid?
The IUPAC name of 2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid (CID 209462) is 2-(diethylamino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid?
The canonical SMILES for 2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid is CCN(CC)CC(=O)NC(C)C1=CC=CC=C1.
What is the InChIKey of 2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid?
The InChIKey is ZJEFTFVSZKSNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-16(5-2)11-14(17)15-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,15,17).
What are the key properties of 2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid?
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid has a molecular weight of 234.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid is sourced from PubChem (CID 209462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).