N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

C22H21NO4 — CID 8712821

IUPACN-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1
InChIInChI=1S/C22H21NO4/c1-14(24)15-6-8-16(9-7-15)23-22(25)13-26-17-10-11-21-19(12-17)18-4-2-3-5-20(18)27-21/h6-12H,2-5,13H2,1H3,(H,23,25)
InChIKeyQBTWVJSVGBSCRF-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.53
Rot. Bonds5

About N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (PubChem CID 8712821) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
PubChem CID8712821
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC NameN-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1
InChIInChI=1S/C22H21NO4/c1-14(24)15-6-8-16(9-7-15)23-22(25)13-26-17-10-11-21-19(12-17)18-4-2-3-5-20(18)27-21/h6-12H,2-5,13H2,1H3,(H,23,25)
InChIKeyQBTWVJSVGBSCRF-UHFFFAOYSA-N
XLogP4.53
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 3772122
N-(4-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8840330
methyl 2-[[4-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]benzoyl]amino]acetate
CID 34073127
N-(3-methylsulfonylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 26722849
N-ethoxy-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46536426
N-(4-chloro-2-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 7914664
N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 17390804
N-(6-morpholin-4-yl-3-pyridinyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 37274733
N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55737258
N,N-dimethyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46652492
N-(4-chloro-2,5-dimethoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 8501525
N-[2-(methylamino)propyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide;hydrochloride
CID 120827134

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (CID 8712821) is N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is CC(=O)c1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The InChIKey is QBTWVJSVGBSCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-14(24)15-6-8-16(9-7-15)23-22(25)13-26-17-10-11-21-19(12-17)18-4-2-3-5-20(18)27-21/h6-12H,2-5,13H2,1H3,(H,23,25).
What are the key properties of N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide has a molecular weight of 363.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is sourced from PubChem (CID 8712821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).