N-(2-methyl-1-phenyl-1,3-dihydroisoindol-4-yl)acetamide

C17H18N2O — CID 70063225

IUPACN-(2-methyl-1-phenyl-1,3-dihydroisoindol-4-yl)acetamide
SMILESCC(=O)Nc1cccc2c1CN(C)C2c1ccccc1
InChIInChI=1S/C17H18N2O/c1-12(20)18-16-10-6-9-14-15(16)11-19(2)17(14)13-7-4-3-5-8-13/h3-10,17H,11H2,1-2H3,(H,18,20)
InChIKeyDFTSPBUJUQUNSN-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.18
Rot. Bonds2

About N-(2-methyl-1-phenyl-1,3-dihydroisoindol-4-yl)acetamide

N-(2-methyl-1-phenyl-1,3-dihydroisoindol-4-yl)acetamide (PubChem CID 70063225) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-methyl-1-phenyl-1,3-dihydroisoindol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenyl-1,3-dihydroisoindol-4-yl)acetamide
PubChem CID70063225
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(2-methyl-1-phenyl-1,3-dihydroisoindol-4-yl)acetamide
SMILESCC(=O)Nc1cccc2c1CN(C)C2c1ccccc1
InChIInChI=1S/C17H18N2O/c1-12(20)18-16-10-6-9-14-15(16)11-19(2)17(14)13-7-4-3-5-8-13/h3-10,17H,11H2,1-2H3,(H,18,20)
InChIKeyDFTSPBUJUQUNSN-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenyl-1,3-dihydroisoindol-4-yl)acetamide?
The IUPAC name of N-(2-methyl-1-phenyl-1,3-dihydroisoindol-4-yl)acetamide (CID 70063225) is N-(2-methyl-1-phenyl-1,3-dihydroisoindol-4-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1-phenyl-1,3-dihydroisoindol-4-yl)acetamide?
The canonical SMILES for N-(2-methyl-1-phenyl-1,3-dihydroisoindol-4-yl)acetamide is CC(=O)Nc1cccc2c1CN(C)C2c1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenyl-1,3-dihydroisoindol-4-yl)acetamide?
The InChIKey is DFTSPBUJUQUNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(20)18-16-10-6-9-14-15(16)11-19(2)17(14)13-7-4-3-5-8-13/h3-10,17H,11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methyl-1-phenyl-1,3-dihydroisoindol-4-yl)acetamide?
N-(2-methyl-1-phenyl-1,3-dihydroisoindol-4-yl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenyl-1,3-dihydroisoindol-4-yl)acetamide is sourced from PubChem (CID 70063225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).