(E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide

C20H24N2O5 — CID 55744442

IUPAC(E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide
SMILESCOCCOc1ccc(CNC(=O)/C=C/c2cc(OC)ccc2OC)cn1
InChIInChI=1S/C20H24N2O5/c1-24-10-11-27-20-9-4-15(14-22-20)13-21-19(23)8-5-16-12-17(25-2)6-7-18(16)26-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23)/b8-5+
InChIKeyOKIFFTGHNBJLRY-VMPITWQZSA-N
MW372.42 g/mol
LogP2.45
Rot. Bonds10

About (E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide

(E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide (PubChem CID 55744442) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide
PubChem CID55744442
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name(E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide
SMILESCOCCOc1ccc(CNC(=O)/C=C/c2cc(OC)ccc2OC)cn1
InChIInChI=1S/C20H24N2O5/c1-24-10-11-27-20-9-4-15(14-22-20)13-21-19(23)8-5-16-12-17(25-2)6-7-18(16)26-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23)/b8-5+
InChIKeyOKIFFTGHNBJLRY-VMPITWQZSA-N
XLogP2.45
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide
CID 55744249
(E)-3-(2,5-dimethoxyphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]prop-2-enamide
CID 25337635
(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 35742707
(E)-3-(2,5-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
CID 2684663
N-[4-[[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]-2-methylpropanamide
CID 55509565
(E)-3-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 47099182
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 46524786
(E)-3-(2,5-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)prop-2-enamide
CID 51058064
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 42991733
3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 55844557
N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4307222
(E)-N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6064379

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide (CID 55744442) is (E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide is COCCOc1ccc(CNC(=O)/C=C/c2cc(OC)ccc2OC)cn1.
What is the InChIKey of (E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide?
The InChIKey is OKIFFTGHNBJLRY-VMPITWQZSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-24-10-11-27-20-9-4-15(14-22-20)13-21-19(23)8-5-16-12-17(25-2)6-7-18(16)26-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,21,23)/b8-5+.
What are the key properties of (E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide?
(E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide has a molecular weight of 372.42 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxyphenyl)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]prop-2-enamide is sourced from PubChem (CID 55744442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).