3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide

C19H19NO — CID 68945842

IUPAC3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide
SMILESCc1ccc(CCNC(=O)C#Cc2ccccc2C)cc1
InChIInChI=1S/C19H19NO/c1-15-7-9-17(10-8-15)13-14-20-19(21)12-11-18-6-4-3-5-16(18)2/h3-10H,13-14H2,1-2H3,(H,20,21)
InChIKeyWJAFAPOCLQVCPJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.01
Rot. Bonds3

About 3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide

3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide (PubChem CID 68945842) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide
PubChem CID68945842
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide
SMILESCc1ccc(CCNC(=O)C#Cc2ccccc2C)cc1
InChIInChI=1S/C19H19NO/c1-15-7-9-17(10-8-15)13-14-20-19(21)12-11-18-6-4-3-5-16(18)2/h3-10H,13-14H2,1-2H3,(H,20,21)
InChIKeyWJAFAPOCLQVCPJ-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-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68944668
N-(2,2-diphenylethyl)-3-(2-methylphenyl)prop-2-ynamide
CID 68944805
3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide
CID 68942700
3-(4-tert-butylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68944903
3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68941446
1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea
CID 108909730
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891006
3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115154707
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870
N-[2-(4-methylphenyl)ethyl]but-2-enamide
CID 91331870

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide?
The IUPAC name of 3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide (CID 68945842) is 3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide?
The canonical SMILES for 3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide is Cc1ccc(CCNC(=O)C#Cc2ccccc2C)cc1.
What is the InChIKey of 3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide?
The InChIKey is WJAFAPOCLQVCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-15-7-9-17(10-8-15)13-14-20-19(21)12-11-18-6-4-3-5-16(18)2/h3-10H,13-14H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide?
3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]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-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide is sourced from PubChem (CID 68945842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).