N-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide

C18H17NO5 — CID 13190742

IUPACN-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccccc2)c(O)c(OC)c2occc12
InChIInChI=1S/C18H17NO5/c1-22-15-12-8-9-24-16(12)17(23-2)14(20)13(15)18(21)19-10-11-6-4-3-5-7-11/h3-9,20H,10H2,1-2H3,(H,19,21)
InChIKeyVIFNBBJMPRKOCZ-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.09
Rot. Bonds5

About N-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide

N-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide (PubChem CID 13190742) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide
PubChem CID13190742
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC NameN-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccccc2)c(O)c(OC)c2occc12
InChIInChI=1S/C18H17NO5/c1-22-15-12-8-9-24-16(12)17(23-2)14(20)13(15)18(21)19-10-11-6-4-3-5-7-11/h3-9,20H,10H2,1-2H3,(H,19,21)
InChIKeyVIFNBBJMPRKOCZ-UHFFFAOYSA-N
XLogP3.09
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-oxoprop-1-enyl]benzoic acid
CID 72625948
1-[7-[(4-bromophenyl)methoxy]-6-hydroxy-4-methoxy-1-benzofuran-5-yl]ethanone
CID 11618060
1-(7-amino-6-hydroxy-4-methoxy-1-benzofuran-5-yl)ethanone
CID 71328929
1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-methylurea
CID 12672416
1-[7-methoxy-4-methyl-6-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone
CID 24995450
1-[6-[5-[(5-acetyl-4,7-dimethoxy-1-benzofuran-6-yl)sulfanyl]pentylsulfanyl]-4,7-dimethoxy-1-benzofuran-5-yl]ethanone
CID 10289836
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
7-bromo-6-hydroxy-4-methoxy-N-(4-methylphenyl)-1-benzofuran-5-carboxamide
CID 56926230
4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 54684670
2-(benzylcarbamoyl)-3,6-dihydroxybenzoic acid
CID 139355426
(E)-3-cycloheptyl-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)prop-2-en-1-one
CID 166738220
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide?
The IUPAC name of N-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide (CID 13190742) is N-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide?
The canonical SMILES for N-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide is COc1c(C(=O)NCc2ccccc2)c(O)c(OC)c2occc12.
What is the InChIKey of N-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide?
The InChIKey is VIFNBBJMPRKOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-22-15-12-8-9-24-16(12)17(23-2)14(20)13(15)18(21)19-10-11-6-4-3-5-7-11/h3-9,20H,10H2,1-2H3,(H,19,21).
What are the key properties of N-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide?
N-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carboxamide is sourced from PubChem (CID 13190742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).