N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide

C23H25NO4 — CID 24897851

IUPACN-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc2oc3c(c2c1)CCCCCC3
InChIInChI=1S/C23H25NO4/c1-26-20-10-7-11-21(27-2)22(20)23(25)24-15-12-13-19-17(14-15)16-8-5-3-4-6-9-18(16)28-19/h7,10-14H,3-6,8-9H2,1-2H3,(H,24,25)
InChIKeyQTWXQOOMJOPDQH-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.36
Rot. Bonds4

About N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide

N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide (PubChem CID 24897851) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide
PubChem CID24897851
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC NameN-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc2oc3c(c2c1)CCCCCC3
InChIInChI=1S/C23H25NO4/c1-26-20-10-7-11-21(27-2)22(20)23(25)24-15-12-13-19-17(14-15)16-8-5-3-4-6-9-18(16)28-19/h7,10-14H,3-6,8-9H2,1-2H3,(H,24,25)
InChIKeyQTWXQOOMJOPDQH-UHFFFAOYSA-N
XLogP5.36
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide (CID 24897851) is N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc2oc3c(c2c1)CCCCCC3.
What is the InChIKey of N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide?
The InChIKey is QTWXQOOMJOPDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-26-20-10-7-11-21(27-2)22(20)23(25)24-15-12-13-19-17(14-15)16-8-5-3-4-6-9-18(16)28-19/h7,10-14H,3-6,8-9H2,1-2H3,(H,24,25).
What are the key properties of N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide?
N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide has a molecular weight of 379.46 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7,8,9,10,11-hexahydrocycloocta[b][1]benzofuran-2-yl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 24897851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).