(E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide

C26H28N2O4 — CID 25490586

IUPAC(E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)NN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H28N2O4/c1-30-23-17-25(32-3)24(31-2)16-22(23)14-15-26(29)27-28(18-20-10-6-4-7-11-20)19-21-12-8-5-9-13-21/h4-17H,18-19H2,1-3H3,(H,27,29)/b15-14+
InChIKeyGHZUCROOKGMYIG-CCEZHUSRSA-N
MW432.52 g/mol
LogP4.46
Rot. Bonds10

About (E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide

(E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide (PubChem CID 25490586) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is (E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide
PubChem CID25490586
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name(E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)NN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H28N2O4/c1-30-23-17-25(32-3)24(31-2)16-22(23)14-15-26(29)27-28(18-20-10-6-4-7-11-20)19-21-12-8-5-9-13-21/h4-17H,18-19H2,1-3H3,(H,27,29)/b15-14+
InChIKeyGHZUCROOKGMYIG-CCEZHUSRSA-N
XLogP4.46
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 8713738
(E)-N-[4-(phenylcarbamoylamino)phenyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 30779967
(E)-N-(2-chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 9411298
2-[[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 6967475
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
(E)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 8969655
N-[benzyl(methyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3334235
[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 155530627
[2-(4-methylanilino)-2-oxo-1-phenylethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
CID 46794103
(E)-1-(6-hydroxy-2,3-dimethoxy-4-phenylmethoxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 134867863
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 9368335
2-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
CID 102534632

Frequently Asked Questions

What is the IUPAC name of (E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide (CID 25490586) is (E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide is COc1cc(OC)c(OC)cc1/C=C/C(=O)NN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide?
The InChIKey is GHZUCROOKGMYIG-CCEZHUSRSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-30-23-17-25(32-3)24(31-2)16-22(23)14-15-26(29)27-28(18-20-10-6-4-7-11-20)19-21-12-8-5-9-13-21/h4-17H,18-19H2,1-3H3,(H,27,29)/b15-14+.
What are the key properties of (E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide?
(E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide has a molecular weight of 432.52 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide is sourced from PubChem (CID 25490586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).