N-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide

C20H21NO3 — CID 113199470

IUPACN-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2c3c(cc4c2OCC4)OCC3)c1
InChIInChI=1S/C20H21NO3/c1-12-3-4-13(2)17(9-12)21-19(22)11-16-15-6-8-23-18(15)10-14-5-7-24-20(14)16/h3-4,9-10H,5-8,11H2,1-2H3,(H,21,22)
InChIKeyZBLFGUKYGJRPFE-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.35
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide

N-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide (PubChem CID 113199470) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
PubChem CID113199470
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2c3c(cc4c2OCC4)OCC3)c1
InChIInChI=1S/C20H21NO3/c1-12-3-4-13(2)17(9-12)21-19(22)11-16-15-6-8-23-18(15)10-14-5-7-24-20(14)16/h3-4,9-10H,5-8,11H2,1-2H3,(H,21,22)
InChIKeyZBLFGUKYGJRPFE-UHFFFAOYSA-N
XLogP3.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199463
1-(2,5-dimethylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217632
N-(2-fluorophenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199486
N-(2,4-dimethoxyphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199510
N,N-diethyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199444
N-prop-2-enyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199376
N,N-dipropyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199457
1-[(4-methylphenyl)methyl]-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217578
1-(2-methoxy-5-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199696
1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217817
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
2,2-dimethyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
CID 113095519

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide (CID 113199470) is N-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide is Cc1ccc(C)c(NC(=O)Cc2c3c(cc4c2OCC4)OCC3)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide?
The InChIKey is ZBLFGUKYGJRPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-12-3-4-13(2)17(9-12)21-19(22)11-16-15-6-8-23-18(15)10-14-5-7-24-20(14)16/h3-4,9-10H,5-8,11H2,1-2H3,(H,21,22).
What are the key properties of N-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide?
N-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide has a molecular weight of 323.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide is sourced from PubChem (CID 113199470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).