N,N-dimethyl-3-phenylprop-2-ynamide

C11H11NO — CID 916350

IUPACN,N-dimethyl-3-phenylprop-2-ynamide
SMILESCN(C)C(=O)C#Cc1ccccc1
InChIInChI=1S/C11H11NO/c1-12(2)11(13)9-8-10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyJMXMVKLWRIOQGG-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.13
Rot. Bonds

About N,N-dimethyl-3-phenylprop-2-ynamide

N,N-dimethyl-3-phenylprop-2-ynamide (PubChem CID 916350) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is N,N-dimethyl-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN,N-dimethyl-3-phenylprop-2-ynamide
PubChem CID916350
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC NameN,N-dimethyl-3-phenylprop-2-ynamide
SMILESCN(C)C(=O)C#Cc1ccccc1
InChIInChI=1S/C11H11NO/c1-12(2)11(13)9-8-10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyJMXMVKLWRIOQGG-UHFFFAOYSA-N
XLogP1.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,N-dimethyl-3-phenylprop-2-ynamide?
The IUPAC name of N,N-dimethyl-3-phenylprop-2-ynamide (CID 916350) is N,N-dimethyl-3-phenylprop-2-ynamide.
What is the SMILES notation for N,N-dimethyl-3-phenylprop-2-ynamide?
The canonical SMILES for N,N-dimethyl-3-phenylprop-2-ynamide is CN(C)C(=O)C#Cc1ccccc1.
What is the InChIKey of N,N-dimethyl-3-phenylprop-2-ynamide?
The InChIKey is JMXMVKLWRIOQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-12(2)11(13)9-8-10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of N,N-dimethyl-3-phenylprop-2-ynamide?
N,N-dimethyl-3-phenylprop-2-ynamide has a molecular weight of 173.21 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenylprop-2-ynamide is sourced from PubChem (CID 916350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).