3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide

C18H20N2O4 — CID 47019688

IUPAC3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCc2ccnc(OC)c2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-4-9-24-15-6-5-14(11-16(15)22-2)18(21)20-12-13-7-8-19-17(10-13)23-3/h4-8,10-11H,1,9,12H2,2-3H3,(H,20,21)
InChIKeyJUVSWHKAJTVQHS-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.59
Rot. Bonds8

About 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide

3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide (PubChem CID 47019688) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide
PubChem CID47019688
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCc2ccnc(OC)c2)cc1OC
InChIInChI=1S/C18H20N2O4/c1-4-9-24-15-6-5-14(11-16(15)22-2)18(21)20-12-13-7-8-19-17(10-13)23-3/h4-8,10-11H,1,9,12H2,2-3H3,(H,20,21)
InChIKeyJUVSWHKAJTVQHS-UHFFFAOYSA-N
XLogP2.59
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
CID 24538483
3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide
CID 55575895
N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46586210
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
CID 31816152
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
4-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62991671
4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]naphthalene-1-carboxamide
CID 18277956
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62072661
6-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 62073001
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18167334
3-methoxy-N-[2-(methylamino)ethyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119503473
N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitrobenzamide
CID 18155533

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide?
The IUPAC name of 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide (CID 47019688) is 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCc2ccnc(OC)c2)cc1OC.
What is the InChIKey of 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide?
The InChIKey is JUVSWHKAJTVQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-4-9-24-15-6-5-14(11-16(15)22-2)18(21)20-12-13-7-8-19-17(10-13)23-3/h4-8,10-11H,1,9,12H2,2-3H3,(H,20,21).
What are the key properties of 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide?
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide has a molecular weight of 328.37 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 47019688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).