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

C19H21NO5 — CID 154698619

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide
SMILESCOc1cc(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)ccc1O
InChIInChI=1S/C19H21NO5/c1-23-16-8-5-13(10-18(16)25-3)6-9-19(22)20-12-14-4-7-15(21)17(11-14)24-2/h4-11,21H,12H2,1-3H3,(H,20,22)/b9-6+
InChIKeyIZCZKKQYLFKCAP-RMKNXTFCSA-N
MW343.38 g/mol
LogP2.75
Rot. Bonds7

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

(E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide (PubChem CID 154698619) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide
PubChem CID154698619
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide
SMILESCOc1cc(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)ccc1O
InChIInChI=1S/C19H21NO5/c1-23-16-8-5-13(10-18(16)25-3)6-9-19(22)20-12-14-4-7-15(21)17(11-14)24-2/h4-11,21H,12H2,1-3H3,(H,20,22)/b9-6+
InChIKeyIZCZKKQYLFKCAP-RMKNXTFCSA-N
XLogP2.75
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
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-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide (CID 154698619) is (E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide is COc1cc(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)ccc1O.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide?
The InChIKey is IZCZKKQYLFKCAP-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H21NO5/c1-23-16-8-5-13(10-18(16)25-3)6-9-19(22)20-12-14-4-7-15(21)17(11-14)24-2/h4-11,21H,12H2,1-3H3,(H,20,22)/b9-6+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide has a molecular weight of 343.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 154698619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).