6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide

C16H19NO4 — CID 70730889

IUPAC6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)NC3CCCOC3)oc2c1
InChIInChI=1S/C16H19NO4/c1-10-13-6-5-12(19-2)8-14(13)21-15(10)16(18)17-11-4-3-7-20-9-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyJFMXPCFSZMKWQC-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.66
Rot. Bonds3

About 6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide

6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 70730889) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide
PubChem CID70730889
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)NC3CCCOC3)oc2c1
InChIInChI=1S/C16H19NO4/c1-10-13-6-5-12(19-2)8-14(13)21-15(10)16(18)17-11-4-3-7-20-9-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyJFMXPCFSZMKWQC-UHFFFAOYSA-N
XLogP2.66
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
6-methoxy-3-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-2-carboxamide
CID 133266869
6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide
CID 95122255
6-methoxy-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 133266484
1-cyclopentyl-3-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 9090114
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134047684
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192
N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998191
ethyl 4-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]piperidine-1-carboxylate
CID 51193858
5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 86965684
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide (CID 70730889) is 6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide is COc1ccc2c(C)c(C(=O)NC3CCCOC3)oc2c1.
What is the InChIKey of 6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is JFMXPCFSZMKWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10-13-6-5-12(19-2)8-14(13)21-15(10)16(18)17-11-4-3-7-20-9-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,18).
What are the key properties of 6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide?
6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70730889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).