2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide

C13H19N3O — CID 62231177

IUPAC2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide
SMILESCC(N)(CCN1Cc2ccccc2C1)C(N)=O
InChIInChI=1S/C13H19N3O/c1-13(15,12(14)17)6-7-16-8-10-4-2-3-5-11(10)9-16/h2-5H,6-9,15H2,1H3,(H2,14,17)
InChIKeyXSMCNYMZOUVBAH-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.60
Rot. Bonds4

About 2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide

2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide (PubChem CID 62231177) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide
PubChem CID62231177
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide
SMILESCC(N)(CCN1Cc2ccccc2C1)C(N)=O
InChIInChI=1S/C13H19N3O/c1-13(15,12(14)17)6-7-16-8-10-4-2-3-5-11(10)9-16/h2-5H,6-9,15H2,1H3,(H2,14,17)
InChIKeyXSMCNYMZOUVBAH-UHFFFAOYSA-N
XLogP0.60
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide?
The IUPAC name of 2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide (CID 62231177) is 2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide?
The canonical SMILES for 2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide is CC(N)(CCN1Cc2ccccc2C1)C(N)=O.
What is the InChIKey of 2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide?
The InChIKey is XSMCNYMZOUVBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(15,12(14)17)6-7-16-8-10-4-2-3-5-11(10)9-16/h2-5H,6-9,15H2,1H3,(H2,14,17).
What are the key properties of 2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide?
2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide has a molecular weight of 233.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,3-dihydroisoindol-2-yl)-2-methylbutanamide is sourced from PubChem (CID 62231177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).