3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide

C19H19NO — CID 68944668

IUPAC3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide
SMILESCc1ccc(C#CC(=O)NCCc2ccccc2)cc1C
InChIInChI=1S/C19H19NO/c1-15-8-9-18(14-16(15)2)10-11-19(21)20-13-12-17-6-4-3-5-7-17/h3-9,14H,12-13H2,1-2H3,(H,20,21)
InChIKeyAQLPWURHXUECKH-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.01
Rot. Bonds3

About 3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide

3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide (PubChem CID 68944668) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide
PubChem CID68944668
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide
SMILESCc1ccc(C#CC(=O)NCCc2ccccc2)cc1C
InChIInChI=1S/C19H19NO/c1-15-8-9-18(14-16(15)2)10-11-19(21)20-13-12-17-6-4-3-5-7-17/h3-9,14H,12-13H2,1-2H3,(H,20,21)
InChIKeyAQLPWURHXUECKH-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68941446
3-(4-tert-butylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68944903
3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 23627864
3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide
CID 68945842
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide
CID 68940319
3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide
CID 68942700
N-[2-(4-chlorophenyl)ethyl]-3-(3-cyanophenyl)prop-2-ynamide
CID 68943429
N-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide
CID 68947035
3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide
CID 68947547
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide
CID 68945819
N-butyl-3-phenylprop-2-ynamide
CID 141247412

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide (CID 68944668) is 3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide is Cc1ccc(C#CC(=O)NCCc2ccccc2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide?
The InChIKey is AQLPWURHXUECKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-15-8-9-18(14-16(15)2)10-11-19(21)20-13-12-17-6-4-3-5-7-17/h3-9,14H,12-13H2,1-2H3,(H,20,21).
What are the key properties of 3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide?
3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide has a molecular weight of 277.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide is sourced from PubChem (CID 68944668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).