2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C24H27NO6 — CID 41261420

IUPAC2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc(OC)c1OC
InChIInChI=1S/C24H27NO6/c1-27-21-10-15(11-22(28-2)24(21)29-3)13-25-23(26)14-30-16-8-9-20-18(12-16)17-6-4-5-7-19(17)31-20/h8-12H,4-7,13-14H2,1-3H3,(H,25,26)
InChIKeyUFCGBXCAIFIJGB-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.03
Rot. Bonds8

About 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 41261420) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID41261420
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Name2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc(OC)c1OC
InChIInChI=1S/C24H27NO6/c1-27-21-10-15(11-22(28-2)24(21)29-3)13-25-23(26)14-30-16-8-9-20-18(12-16)17-6-4-5-7-19(17)31-20/h8-12H,4-7,13-14H2,1-3H3,(H,25,26)
InChIKeyUFCGBXCAIFIJGB-UHFFFAOYSA-N
XLogP4.03
TPSA79.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

N-[(4-nitrophenyl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 52702278
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 18206466
N-(4-methoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 3772122
N-(4-chloro-2,5-dimethoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8501525
N-ethoxy-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46536426
N-[2-(methylamino)propyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide;hydrochloride
CID 120827134
N-(pyridin-2-ylmethyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8880601
N-(3-pyrrolidin-1-ium-1-ylpropyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 9050377
N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 9049074
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 55820732
(3-fluoro-4-methoxyphenyl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 18288272
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 56558264

Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 41261420) is 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc(OC)c1OC.
What is the InChIKey of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is UFCGBXCAIFIJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO6/c1-27-21-10-15(11-22(28-2)24(21)29-3)13-25-23(26)14-30-16-8-9-20-18(12-16)17-6-4-5-7-19(17)31-20/h8-12H,4-7,13-14H2,1-3H3,(H,25,26).
What are the key properties of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 425.48 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 41261420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).