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

C15H22N2O — CID 154814589

IUPACN-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide
SMILESCCCC(C)N1Cc2cccc(NC(C)=O)c2C1
InChIInChI=1S/C15H22N2O/c1-4-6-11(2)17-9-13-7-5-8-15(14(13)10-17)16-12(3)18/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,18)
InChIKeyTYEQZMXJPRNXRW-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.15
Rot. Bonds4

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

N-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide (PubChem CID 154814589) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide
PubChem CID154814589
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide
SMILESCCCC(C)N1Cc2cccc(NC(C)=O)c2C1
InChIInChI=1S/C15H22N2O/c1-4-6-11(2)17-9-13-7-5-8-15(14(13)10-17)16-12(3)18/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,18)
InChIKeyTYEQZMXJPRNXRW-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide?
The IUPAC name of N-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide (CID 154814589) is N-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide.
What is the SMILES notation for N-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide?
The canonical SMILES for N-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide is CCCC(C)N1Cc2cccc(NC(C)=O)c2C1.
What is the InChIKey of N-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide?
The InChIKey is TYEQZMXJPRNXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-6-11(2)17-9-13-7-5-8-15(14(13)10-17)16-12(3)18/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide?
N-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pentan-2-yl-1,3-dihydroisoindol-4-yl)acetamide is sourced from PubChem (CID 154814589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).