N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C22H20N2O4 — CID 55642482

IUPACN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)C2Cc3ccccc3O2)cc1OCc1ccncc1
InChIInChI=1S/C22H20N2O4/c1-26-19-7-6-17(13-20(19)27-14-15-8-10-23-11-9-15)24-22(25)21-12-16-4-2-3-5-18(16)28-21/h2-11,13,21H,12,14H2,1H3,(H,24,25)
InChIKeyCFVPJWOQZDVPBN-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.61
Rot. Bonds6

About N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 55642482) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID55642482
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)C2Cc3ccccc3O2)cc1OCc1ccncc1
InChIInChI=1S/C22H20N2O4/c1-26-19-7-6-17(13-20(19)27-14-15-8-10-23-11-9-15)24-22(25)21-12-16-4-2-3-5-18(16)28-21/h2-11,13,21H,12,14H2,1H3,(H,24,25)
InChIKeyCFVPJWOQZDVPBN-UHFFFAOYSA-N
XLogP3.61
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17438968
(2R)-N-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8531124
N-(3-cyclopentyloxy-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55591626
(2S)-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083111
(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9088486
N-[4-(2-methoxyphenoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24529970
(2R)-N-(3-methoxy-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95298416
N-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698841
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083429
(2R)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 38625488
1-(2-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43068313
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-phenylbutanamide
CID 43068285

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 55642482) is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)C2Cc3ccccc3O2)cc1OCc1ccncc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is CFVPJWOQZDVPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-26-19-7-6-17(13-20(19)27-14-15-8-10-23-11-9-15)24-22(25)21-12-16-4-2-3-5-18(16)28-21/h2-11,13,21H,12,14H2,1H3,(H,24,25).
What are the key properties of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55642482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).