N-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide

C20H20N4O — CID 50970022

IUPACN-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide
SMILESC=CCN(Cc1ccccc1C)C(=O)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C20H20N4O/c1-3-12-23(13-18-7-5-4-6-16(18)2)20(25)17-8-10-19(11-9-17)24-14-21-22-15-24/h3-11,14-15H,1,12-13H2,2H3
InChIKeyYLRPDFUEQZMYSK-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.40
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide

N-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 50970022) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID50970022
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide
SMILESC=CCN(Cc1ccccc1C)C(=O)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C20H20N4O/c1-3-12-23(13-18-7-5-4-6-16(18)2)20(25)17-8-10-19(11-9-17)24-14-21-22-15-24/h3-11,14-15H,1,12-13H2,2H3
InChIKeyYLRPDFUEQZMYSK-UHFFFAOYSA-N
XLogP3.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide 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

4-chloro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 42763848
(E)-4-[(2-methylphenyl)methyl-prop-2-enylamino]-4-oxobut-2-enoic acid
CID 39360082
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-prop-2-enylbenzamide
CID 42763850
4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide
CID 43587256
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]-N-prop-2-enylpropanamide
CID 46983695
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylphenyl)methyl]-N-prop-2-enylacetamide
CID 50965842
2-[(2-methylphenyl)methyl-prop-2-enylamino]acetic acid
CID 39243977
2-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 42763860
N-methyl-N-[(2-methylphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9379054
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
CID 55918590
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide (CID 50970022) is N-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide is C=CCN(Cc1ccccc1C)C(=O)c1ccc(-n2cnnc2)cc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is YLRPDFUEQZMYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-12-23(13-18-7-5-4-6-16(18)2)20(25)17-8-10-19(11-9-17)24-14-21-22-15-24/h3-11,14-15H,1,12-13H2,2H3.
What are the key properties of N-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide?
N-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-N-prop-2-enyl-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 50970022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).