N-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

C21H21NO3 — CID 827855

IUPACN-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILESCc1cccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1
InChIInChI=1S/C21H21NO3/c1-14-5-4-6-15(11-14)22-21(23)13-24-16-9-10-20-18(12-16)17-7-2-3-8-19(17)25-20/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,22,23)
InChIKeyNYMGMWGUBBEZSL-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.64
Rot. Bonds4

About N-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

N-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (PubChem CID 827855) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
PubChem CID827855
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
SMILESCc1cccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1
InChIInChI=1S/C21H21NO3/c1-14-5-4-6-15(11-14)22-21(23)13-24-16-9-10-20-18(12-16)17-7-2-3-8-19(17)25-20/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,22,23)
InChIKeyNYMGMWGUBBEZSL-UHFFFAOYSA-N
XLogP4.64
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide (CID 827855) is N-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is Cc1cccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
The InChIKey is NYMGMWGUBBEZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-14-5-4-6-15(11-14)22-21(23)13-24-16-9-10-20-18(12-16)17-7-2-3-8-19(17)25-20/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,22,23).
What are the key properties of N-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide?
N-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide has a molecular weight of 335.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide is sourced from PubChem (CID 827855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).