(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide

C18H20N2O3 — CID 39953593

IUPAC(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2ccncc2)cc1OC
InChIInChI=1S/C18H20N2O3/c1-3-12-23-16-6-4-14(13-17(16)22-2)5-7-18(21)20-15-8-10-19-11-9-15/h4-11,13H,3,12H2,1-2H3,(H,19,20,21)/b7-5+
InChIKeyTTXMZKPAGFHNPT-FNORWQNLSA-N
MW312.37 g/mol
LogP3.53
Rot. Bonds7

About (E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide

(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide (PubChem CID 39953593) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide
PubChem CID39953593
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2ccncc2)cc1OC
InChIInChI=1S/C18H20N2O3/c1-3-12-23-16-6-4-14(13-17(16)22-2)5-7-18(21)20-15-8-10-19-11-9-15/h4-11,13H,3,12H2,1-2H3,(H,19,20,21)/b7-5+
InChIKeyTTXMZKPAGFHNPT-FNORWQNLSA-N
XLogP3.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.53
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)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
propyl 4-[3-(3-methoxy-4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3440541
3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 3440540
N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 3477452
(E)-N-(3-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 60533788
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
3-(3-methoxy-4-propoxyphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 3477866
(E)-3-(4-hexoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534554
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044
(E)-N-[(4-acetamidophenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 32859165
3-(3,4-dimethoxyphenyl)-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide
CID 991012

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide (CID 39953593) is (E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide is CCCOc1ccc(/C=C/C(=O)Nc2ccncc2)cc1OC.
What is the InChIKey of (E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide?
The InChIKey is TTXMZKPAGFHNPT-FNORWQNLSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-12-23-16-6-4-14(13-17(16)22-2)5-7-18(21)20-15-8-10-19-11-9-15/h4-11,13H,3,12H2,1-2H3,(H,19,20,21)/b7-5+.
What are the key properties of (E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide?
(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide has a molecular weight of 312.37 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 39953593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).