N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide

C16H24N2O — CID 154775188

IUPACN-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide
SMILESCCCCCC(=O)NCCN1Cc2ccccc2C1
InChIInChI=1S/C16H24N2O/c1-2-3-4-9-16(19)17-10-11-18-12-14-7-5-6-8-15(14)13-18/h5-8H,2-4,9-13H2,1H3,(H,17,19)
InChIKeyBZRQYQZCKSJGKR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.70
Rot. Bonds7

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

N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide (PubChem CID 154775188) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide.

Molecular Properties

Compound NameN-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide
PubChem CID154775188
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide
SMILESCCCCCC(=O)NCCN1Cc2ccccc2C1
InChIInChI=1S/C16H24N2O/c1-2-3-4-9-16(19)17-10-11-18-12-14-7-5-6-8-15(14)13-18/h5-8H,2-4,9-13H2,1H3,(H,17,19)
InChIKeyBZRQYQZCKSJGKR-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(methylamino)butanamide
CID 119850084
1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-3-ethylurea
CID 99785429
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
2-[4-(1,3-dihydroisoindol-2-yl)butanoylamino]acetic acid
CID 121497297
7-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]heptanamide;dihydrochloride
CID 119851304
N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide
CID 71345985
6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide
CID 101051335
N-[2-(2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]pent-4-enamide
CID 45180628
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
N-(4-phenylbutyl)hexanamide
CID 4985988
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
CID 56517889

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide?
The IUPAC name of N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide (CID 154775188) is N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide.
What is the SMILES notation for N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide?
The canonical SMILES for N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide is CCCCCC(=O)NCCN1Cc2ccccc2C1.
What is the InChIKey of N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide?
The InChIKey is BZRQYQZCKSJGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-3-4-9-16(19)17-10-11-18-12-14-7-5-6-8-15(14)13-18/h5-8H,2-4,9-13H2,1H3,(H,17,19).
What are the key properties of N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide?
N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide has a molecular weight of 260.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide is sourced from PubChem (CID 154775188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).