N-(1,3-dihydroisoindol-2-yl)hexanamide

C14H20N2O — CID 150580623

IUPACN-(1,3-dihydroisoindol-2-yl)hexanamide
SMILESCCCCCC(=O)NN1Cc2ccccc2C1
InChIInChI=1S/C14H20N2O/c1-2-3-4-9-14(17)15-16-10-12-7-5-6-8-13(12)11-16/h5-8H,2-4,9-11H2,1H3,(H,15,17)
InChIKeyINTBYCVYEVHEPM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.61
Rot. Bonds5

About N-(1,3-dihydroisoindol-2-yl)hexanamide

N-(1,3-dihydroisoindol-2-yl)hexanamide (PubChem CID 150580623) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(1,3-dihydroisoindol-2-yl)hexanamide.

Molecular Properties

Compound NameN-(1,3-dihydroisoindol-2-yl)hexanamide
PubChem CID150580623
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(1,3-dihydroisoindol-2-yl)hexanamide
SMILESCCCCCC(=O)NN1Cc2ccccc2C1
InChIInChI=1S/C14H20N2O/c1-2-3-4-9-14(17)15-16-10-12-7-5-6-8-13(12)11-16/h5-8H,2-4,9-11H2,1H3,(H,15,17)
InChIKeyINTBYCVYEVHEPM-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroisoindol-2-yl)hexanamide?
The IUPAC name of N-(1,3-dihydroisoindol-2-yl)hexanamide (CID 150580623) is N-(1,3-dihydroisoindol-2-yl)hexanamide.
What is the SMILES notation for N-(1,3-dihydroisoindol-2-yl)hexanamide?
The canonical SMILES for N-(1,3-dihydroisoindol-2-yl)hexanamide is CCCCCC(=O)NN1Cc2ccccc2C1.
What is the InChIKey of N-(1,3-dihydroisoindol-2-yl)hexanamide?
The InChIKey is INTBYCVYEVHEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-3-4-9-14(17)15-16-10-12-7-5-6-8-13(12)11-16/h5-8H,2-4,9-11H2,1H3,(H,15,17).
What are the key properties of N-(1,3-dihydroisoindol-2-yl)hexanamide?
N-(1,3-dihydroisoindol-2-yl)hexanamide has a molecular weight of 232.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroisoindol-2-yl)hexanamide is sourced from PubChem (CID 150580623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).