6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide

C17H20N2O4 — CID 95122255

IUPAC6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)N[C@H]3CCCCNC3=O)oc2c1
InChIInChI=1S/C17H20N2O4/c1-10-12-7-6-11(22-2)9-14(12)23-15(10)17(21)19-13-5-3-4-8-18-16(13)20/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyYXBVNBWFDDNTRA-ZDUSSCGKSA-N
MW316.36 g/mol
LogP2.15
Rot. Bonds3

About 6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide

6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 95122255) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide
PubChem CID95122255
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)N[C@H]3CCCCNC3=O)oc2c1
InChIInChI=1S/C17H20N2O4/c1-10-12-7-6-11(22-2)9-14(12)23-15(10)17(21)19-13-5-3-4-8-18-16(13)20/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyYXBVNBWFDDNTRA-ZDUSSCGKSA-N
XLogP2.15
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide
CID 70730889
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
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
3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 95120272
1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 71935595
2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide
CID 94130731
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
N-[(7S)-17-methoxy-6,13-dioxo-2-oxa-5,12-diazabicyclo[12.4.0]octadeca-1(14),15,17-trien-7-yl]-2-methyl-1,3-benzoxazole-6-carboxamide
CID 165428914
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
N-[(7S)-17-methoxy-6,13-dioxo-2-oxa-5,12-diazabicyclo[12.4.0]octadeca-1(14),15,17-trien-7-yl]-1H-pyrrole-3-carboxamide
CID 165420051
2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide
CID 4553699

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide (CID 95122255) is 6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide is COc1ccc2c(C)c(C(=O)N[C@H]3CCCCNC3=O)oc2c1.
What is the InChIKey of 6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is YXBVNBWFDDNTRA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10-12-7-6-11(22-2)9-14(12)23-15(10)17(21)19-13-5-3-4-8-18-16(13)20/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of 6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide?
6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-N-[(3S)-2-oxoazepan-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95122255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).