N-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide

C14H16N2O — CID 66182334

IUPACN-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide
SMILESCCN(C(=O)C#Cc1ccccc1)C1CNC1
InChIInChI=1S/C14H16N2O/c1-2-16(13-10-15-11-13)14(17)9-8-12-6-4-3-5-7-12/h3-7,13,15H,2,10-11H2,1H3
InChIKeyYPSWDWJNWGPYLL-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.86
Rot. Bonds2

About N-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide

N-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide (PubChem CID 66182334) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide
PubChem CID66182334
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide
SMILESCCN(C(=O)C#Cc1ccccc1)C1CNC1
InChIInChI=1S/C14H16N2O/c1-2-16(13-10-15-11-13)14(17)9-8-12-6-4-3-5-7-12/h3-7,13,15H,2,10-11H2,1H3
InChIKeyYPSWDWJNWGPYLL-UHFFFAOYSA-N
XLogP0.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
CID 66182738
N-(azetidin-3-yl)-N-ethyl-4-phenylbutanamide
CID 66183611
N-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide
CID 43602137
N-(azetidin-3-yl)-N-ethyl-2-methoxybenzamide
CID 66182739
N-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide
CID 60957047
N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide
CID 106627592
N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide
CID 66181460
3-phenyl-N-(piperidin-3-ylmethyl)-N-propylprop-2-ynamide
CID 106628072
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 66184674
N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide
CID 66181882
N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide
CID 66182970
N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide
CID 66184231

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide (CID 66182334) is N-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide is CCN(C(=O)C#Cc1ccccc1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide?
The InChIKey is YPSWDWJNWGPYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-16(13-10-15-11-13)14(17)9-8-12-6-4-3-5-7-12/h3-7,13,15H,2,10-11H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide?
N-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide has a molecular weight of 228.30 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-3-phenylprop-2-ynamide is sourced from PubChem (CID 66182334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).