(E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

C18H19NO4 — CID 8713738

IUPAC(E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)Nc1ccccc1
InChIInChI=1S/C18H19NO4/c1-21-15-12-17(23-3)16(22-2)11-13(15)9-10-18(20)19-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,19,20)/b10-9+
InChIKeyKEIDOTZNBCIJQQ-MDZDMXLPSA-N
MW313.35 g/mol
LogP3.36
Rot. Bonds6

About (E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 8713738) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID8713738
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)Nc1ccccc1
InChIInChI=1S/C18H19NO4/c1-21-15-12-17(23-3)16(22-2)11-13(15)9-10-18(20)19-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,19,20)/b10-9+
InChIKeyKEIDOTZNBCIJQQ-MDZDMXLPSA-N
XLogP3.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(phenylcarbamoylamino)phenyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 30779967
3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 4989613
(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
(E)-3-(2-hydroxy-4-methoxyphenyl)-N-phenylprop-2-enamide
CID 89317529
(E)-N',N'-dibenzyl-3-(2,4,5-trimethoxyphenyl)prop-2-enehydrazide
CID 25490586
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
(E)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide
CID 51057386
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180
(E)-N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7668851
[2-(4-methylanilino)-2-oxo-1-phenylethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
CID 46794103
(E)-3-(5-bromo-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 19206457

Frequently Asked Questions

What is the IUPAC name of (E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide (CID 8713738) is (E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(OC)c(OC)cc1/C=C/C(=O)Nc1ccccc1.
What is the InChIKey of (E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is KEIDOTZNBCIJQQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H19NO4/c1-21-15-12-17(23-3)16(22-2)11-13(15)9-10-18(20)19-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,19,20)/b10-9+.
What are the key properties of (E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 313.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 8713738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).