3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide

C19H19NO2 — CID 68942642

IUPAC3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide
SMILESCOc1cccc(C#CC(=O)N(C)CCc2ccccc2)c1
InChIInChI=1S/C19H19NO2/c1-20(14-13-16-7-4-3-5-8-16)19(21)12-11-17-9-6-10-18(15-17)22-2/h3-10,15H,13-14H2,1-2H3
InChIKeyXAPQNPHCXAQCGZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.75
Rot. Bonds4

About 3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide

3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide (PubChem CID 68942642) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide
PubChem CID68942642
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide
SMILESCOc1cccc(C#CC(=O)N(C)CCc2ccccc2)c1
InChIInChI=1S/C19H19NO2/c1-20(14-13-16-7-4-3-5-8-16)19(21)12-11-17-9-6-10-18(15-17)22-2/h3-10,15H,13-14H2,1-2H3
InChIKeyXAPQNPHCXAQCGZ-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide
CID 68943273
N,N-diethyl-3-(3-methoxyphenyl)prop-2-ynamide
CID 154716586
2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetic acid
CID 82129650
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
2-(3-methoxyphenyl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781283
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
2-amino-5-methoxy-N-methyl-N-(2-phenylethyl)benzamide
CID 61110256
3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 115162712
N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 115152133
5-(3-methoxyphenyl)pent-4-ynoic acid
CID 83700907
ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate
CID 115142102
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide (CID 68942642) is 3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide is COc1cccc(C#CC(=O)N(C)CCc2ccccc2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide?
The InChIKey is XAPQNPHCXAQCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-20(14-13-16-7-4-3-5-8-16)19(21)12-11-17-9-6-10-18(15-17)22-2/h3-10,15H,13-14H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide?
3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide has a molecular weight of 293.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide is sourced from PubChem (CID 68942642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).