N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide

C20H21NO5 — CID 113199510

IUPACN-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c3c(cc4c2OCC4)OCC3)c(OC)c1
InChIInChI=1S/C20H21NO5/c1-23-13-3-4-16(18(10-13)24-2)21-19(22)11-15-14-6-8-25-17(14)9-12-5-7-26-20(12)15/h3-4,9-10H,5-8,11H2,1-2H3,(H,21,22)
InChIKeyPPFBXEZODABONK-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.75
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide (PubChem CID 113199510) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
PubChem CID113199510
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c3c(cc4c2OCC4)OCC3)c(OC)c1
InChIInChI=1S/C20H21NO5/c1-23-13-3-4-16(18(10-13)24-2)21-19(22)11-15-14-6-8-25-17(14)9-12-5-7-26-20(12)15/h3-4,9-10H,5-8,11H2,1-2H3,(H,21,22)
InChIKeyPPFBXEZODABONK-UHFFFAOYSA-N
XLogP2.75
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217833
N-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199470
N-(2-fluorophenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199486
N-[(4-methoxyphenyl)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113199957
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 51143686
N-(2,4-dimethoxyphenyl)-4-methyl-3-(oxomethylidene)pentanamide
CID 141249882
N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199444
N-cyclopropyl-2-(2-methoxyphenoxy)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide
CID 113096375
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 90558176
1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199696
N-(2,4-dimethoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825214
methyl 2-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)acetate
CID 116986424

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide (CID 113199510) is N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide is COc1ccc(NC(=O)Cc2c3c(cc4c2OCC4)OCC3)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide?
The InChIKey is PPFBXEZODABONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-23-13-3-4-16(18(10-13)24-2)21-19(22)11-15-14-6-8-25-17(14)9-12-5-7-26-20(12)15/h3-4,9-10H,5-8,11H2,1-2H3,(H,21,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide has a molecular weight of 355.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide is sourced from PubChem (CID 113199510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).