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

C18H20N2O4 — CID 91944153

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
SMILESCCOc1ncccc1CNC(=O)C=Cc1ccc(OC)c(O)c1
InChIInChI=1S/C18H20N2O4/c1-3-24-18-14(5-4-10-19-18)12-20-17(22)9-7-13-6-8-16(23-2)15(21)11-13/h4-11,21H,3,12H2,1-2H3,(H,20,22)
InChIKeyIXPVHZTYLWPZOC-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.52
Rot. Bonds7

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

N-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide (PubChem CID 91944153) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
PubChem CID91944153
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
SMILESCCOc1ncccc1CNC(=O)C=Cc1ccc(OC)c(O)c1
InChIInChI=1S/C18H20N2O4/c1-3-24-18-14(5-4-10-19-18)12-20-17(22)9-7-13-6-8-16(23-2)15(21)11-13/h4-11,21H,3,12H2,1-2H3,(H,20,22)
InChIKeyIXPVHZTYLWPZOC-UHFFFAOYSA-N
XLogP2.52
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.52
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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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
CID 55742340
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 155559259
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
(E)-3-(3,4-diethoxyphenyl)-N-[(2-methylphenyl)methyl]prop-2-enamide
CID 9103990
(E)-3-(2,5-dimethoxyphenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
CID 94178991
(E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 30878649
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 9241050
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide
CID 55594874
(E)-3-(2,4-dimethylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]prop-2-enamide
CID 46585283
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 55338622
(E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide
CID 39834698
(E)-N-(2-cyclopropylethyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 86816342

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide (CID 91944153) is N-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide is CCOc1ncccc1CNC(=O)C=Cc1ccc(OC)c(O)c1.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The InChIKey is IXPVHZTYLWPZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-24-18-14(5-4-10-19-18)12-20-17(22)9-7-13-6-8-16(23-2)15(21)11-13/h4-11,21H,3,12H2,1-2H3,(H,20,22).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide has a molecular weight of 328.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 91944153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).