N-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide

C13H15NO2 — CID 60957047

IUPACN-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide
SMILESCCN(CCO)C(=O)C#Cc1ccccc1
InChIInChI=1S/C13H15NO2/c1-2-14(10-11-15)13(16)9-8-12-6-4-3-5-7-12/h3-7,15H,2,10-11H2,1H3
InChIKeyQITJUAWIQHCMKO-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.88
Rot. Bonds3

About N-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide

N-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide (PubChem CID 60957047) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide
PubChem CID60957047
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide
SMILESCCN(CCO)C(=O)C#Cc1ccccc1
InChIInChI=1S/C13H15NO2/c1-2-14(10-11-15)13(16)9-8-12-6-4-3-5-7-12/h3-7,15H,2,10-11H2,1H3
InChIKeyQITJUAWIQHCMKO-UHFFFAOYSA-N
XLogP0.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide (CID 60957047) is N-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide is CCN(CCO)C(=O)C#Cc1ccccc1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide?
The InChIKey is QITJUAWIQHCMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-14(10-11-15)13(16)9-8-12-6-4-3-5-7-12/h3-7,15H,2,10-11H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide?
N-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide has a molecular weight of 217.27 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 60957047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).