4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide

C18H18N2O4 — CID 75436007

IUPAC4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide
SMILESCOc1ccc2oc(CNc3cc(C(N)=O)ccc3OC)cc2c1
InChIInChI=1S/C18H18N2O4/c1-22-13-4-6-16-12(7-13)8-14(24-16)10-20-15-9-11(18(19)21)3-5-17(15)23-2/h3-9,20H,10H2,1-2H3,(H2,19,21)
InChIKeyALGFEDFXNGUGCY-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.16
Rot. Bonds6

About 4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide

4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide (PubChem CID 75436007) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide
PubChem CID75436007
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide
SMILESCOc1ccc2oc(CNc3cc(C(N)=O)ccc3OC)cc2c1
InChIInChI=1S/C18H18N2O4/c1-22-13-4-6-16-12(7-13)8-14(24-16)10-20-15-9-11(18(19)21)3-5-17(15)23-2/h3-9,20H,10H2,1-2H3,(H2,19,21)
InChIKeyALGFEDFXNGUGCY-UHFFFAOYSA-N
XLogP3.16
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-ylmethylamino)-4-methoxybenzamide
CID 43735328
5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid
CID 104608517
3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
CID 66386759
4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284
3-[(5-ethylfuran-2-yl)methylamino]-4-methoxybenzoic acid
CID 63742283
4-methoxy-3-(pyridin-2-ylmethylamino)benzamide
CID 43735349
3-[(4-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735345
(5S)-5-[[(5-methoxy-1-benzofuran-2-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 129474530
3-[(2-bromo-5-fluorophenyl)methylamino]-4-methoxybenzamide
CID 103866343
3-(5-methoxy-1-benzofuran-2-yl)propanoic acid
CID 28909756
3-[(5-iodofuran-2-yl)methylamino]-4-methoxybenzoic acid
CID 63742467
3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide
CID 66412329

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide?
The IUPAC name of 4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide (CID 75436007) is 4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide.
What is the SMILES notation for 4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide?
The canonical SMILES for 4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide is COc1ccc2oc(CNc3cc(C(N)=O)ccc3OC)cc2c1.
What is the InChIKey of 4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide?
The InChIKey is ALGFEDFXNGUGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-22-13-4-6-16-12(7-13)8-14(24-16)10-20-15-9-11(18(19)21)3-5-17(15)23-2/h3-9,20H,10H2,1-2H3,(H2,19,21).
What are the key properties of 4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide?
4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide has a molecular weight of 326.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(5-methoxy-1-benzofuran-2-yl)methylamino]benzamide is sourced from PubChem (CID 75436007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).