N-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide

C14H20N2O2 — CID 23463977

IUPACN-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide
SMILESCCC(=O)NC1CCc2cn(C(=O)CC)cc2C1
InChIInChI=1S/C14H20N2O2/c1-3-13(17)15-12-6-5-10-8-16(14(18)4-2)9-11(10)7-12/h8-9,12H,3-7H2,1-2H3,(H,15,17)
InChIKeyBICBHMUPLWZZEE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.92
Rot. Bonds3

About N-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide

N-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide (PubChem CID 23463977) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide
PubChem CID23463977
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide
SMILESCCC(=O)NC1CCc2cn(C(=O)CC)cc2C1
InChIInChI=1S/C14H20N2O2/c1-3-13(17)15-12-6-5-10-8-16(14(18)4-2)9-11(10)7-12/h8-9,12H,3-7H2,1-2H3,(H,15,17)
InChIKeyBICBHMUPLWZZEE-UHFFFAOYSA-N
XLogP1.92
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide?
The IUPAC name of N-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide (CID 23463977) is N-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide.
What is the SMILES notation for N-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide?
The canonical SMILES for N-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide is CCC(=O)NC1CCc2cn(C(=O)CC)cc2C1.
What is the InChIKey of N-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide?
The InChIKey is BICBHMUPLWZZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-13(17)15-12-6-5-10-8-16(14(18)4-2)9-11(10)7-12/h8-9,12H,3-7H2,1-2H3,(H,15,17).
What are the key properties of N-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide?
N-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propanoyl-4,5,6,7-tetrahydroisoindol-5-yl)propanamide is sourced from PubChem (CID 23463977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).