3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide

C16H20N4O — CID 77045800

IUPAC3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide
SMILESCCc1ccc(C=CC(=O)N(C)Cc2n[nH]c(C)n2)cc1
InChIInChI=1S/C16H20N4O/c1-4-13-5-7-14(8-6-13)9-10-16(21)20(3)11-15-17-12(2)18-19-15/h5-10H,4,11H2,1-3H3,(H,17,18,19)
InChIKeyXBWUAGKWIPSNPL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.35
Rot. Bonds5

About 3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide

3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide (PubChem CID 77045800) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide
PubChem CID77045800
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide
SMILESCCc1ccc(C=CC(=O)N(C)Cc2n[nH]c(C)n2)cc1
InChIInChI=1S/C16H20N4O/c1-4-13-5-7-14(8-6-13)9-10-16(21)20(3)11-15-17-12(2)18-19-15/h5-10H,4,11H2,1-3H3,(H,17,18,19)
InChIKeyXBWUAGKWIPSNPL-UHFFFAOYSA-N
XLogP2.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide 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

N-methyl-3-(3-methylthiophen-2-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide
CID 77045676
3-(2-bromo-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide
CID 77045829
(E)-3-(4-ethylphenyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 9476516
2-[carboxymethyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]acetic acid
CID 64517900
(E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 115342919
(E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide
CID 115343896
2-chloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511177
2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide
CID 64518641
4-tert-butyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511418
3-(3-chloro-4-methylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 64512552
2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide
CID 79811921
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
CID 64510807

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide?
The IUPAC name of 3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide (CID 77045800) is 3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide is CCc1ccc(C=CC(=O)N(C)Cc2n[nH]c(C)n2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide?
The InChIKey is XBWUAGKWIPSNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-13-5-7-14(8-6-13)9-10-16(21)20(3)11-15-17-12(2)18-19-15/h5-10H,4,11H2,1-3H3,(H,17,18,19).
What are the key properties of 3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide?
3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide has a molecular weight of 284.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 77045800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).