(E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide

C23H24N4O2 — CID 9090755

IUPAC(E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide
SMILESC=CCOc1ccc(CN(C)C(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C23H24N4O2/c1-3-15-29-22-12-9-20(10-13-22)16-26(2)23(28)14-11-21-18-27(25-24-21)17-19-7-5-4-6-8-19/h3-14,18H,1,15-17H2,2H3/b14-11+
InChIKeyLNCSNHFQXFSRBY-SDNWHVSQSA-N
MW388.47 g/mol
LogP3.56
Rot. Bonds9

About (E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide

(E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide (PubChem CID 9090755) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide
PubChem CID9090755
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide
SMILESC=CCOc1ccc(CN(C)C(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C23H24N4O2/c1-3-15-29-22-12-9-20(10-13-22)16-26(2)23(28)14-11-21-18-27(25-24-21)17-19-7-5-4-6-8-19/h3-14,18H,1,15-17H2,2H3/b14-11+
InChIKeyLNCSNHFQXFSRBY-SDNWHVSQSA-N
XLogP3.56
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)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

(E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 24503428
(E)-N-benzyl-3-(1-benzyltriazol-4-yl)-N-pyridin-2-ylprop-2-enamide
CID 17471292
(E)-3-(1-benzyltriazol-4-yl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 9070523
3-(1-benzyltriazol-4-yl)-1-phenylprop-2-en-1-one
CID 171149279
(E)-3-(1-benzyltriazol-4-yl)-1-phenylprop-2-en-1-one
CID 154884212
(E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide
CID 35687554
(E)-3-(1-benzyltriazol-4-yl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 26688818
4-(benzotriazol-1-ylmethyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]benzamide
CID 9090759
(E)-3-(1-benzyltriazol-4-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 18168449
(Z)-3-(1-benzyltriazol-4-yl)prop-2-enal
CID 25323162
(E)-3-(1-benzyltriazol-4-yl)-N-pentan-2-ylprop-2-enamide
CID 17417147
1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 134003826

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide (CID 9090755) is (E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide is C=CCOc1ccc(CN(C)C(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of (E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide?
The InChIKey is LNCSNHFQXFSRBY-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-3-15-29-22-12-9-20(10-13-22)16-26(2)23(28)14-11-21-18-27(25-24-21)17-19-7-5-4-6-8-19/h3-14,18H,1,15-17H2,2H3/b14-11+.
What are the key properties of (E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide?
(E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide has a molecular weight of 388.47 g/mol, XLogP of 3.56, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 9090755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).