(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide

C18H19NO5 — CID 15860088

IUPAC(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C18H19NO5/c1-23-16-9-12(3-6-14(16)20)5-8-18(22)19-11-13-4-7-15(21)17(10-13)24-2/h3-10,20-21H,11H2,1-2H3,(H,19,22)/b8-5+
InChIKeyRJCXJPCBPIHWJJ-VMPITWQZSA-N
MW329.35 g/mol
LogP2.44
Rot. Bonds6

About (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide

(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide (PubChem CID 15860088) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide
PubChem CID15860088
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C18H19NO5/c1-23-16-9-12(3-6-14(16)20)5-8-18(22)19-11-13-4-7-15(21)17(10-13)24-2/h3-10,20-21H,11H2,1-2H3,(H,19,22)/b8-5+
InChIKeyRJCXJPCBPIHWJJ-VMPITWQZSA-N
XLogP2.44
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide (CID 15860088) is (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide is COc1cc(/C=C/C(=O)NCc2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide?
The InChIKey is RJCXJPCBPIHWJJ-VMPITWQZSA-N. The full InChI is InChI=1S/C18H19NO5/c1-23-16-9-12(3-6-14(16)20)5-8-18(22)19-11-13-4-7-15(21)17(10-13)24-2/h3-10,20-21H,11H2,1-2H3,(H,19,22)/b8-5+.
What are the key properties of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide?
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide has a molecular weight of 329.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 15860088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).