N-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide

C20H32N2O — CID 10784241

IUPACN-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
SMILESCCCCCCN1CCc2c(C)cc(C)c(NC(=O)C(C)C)c21
InChIInChI=1S/C20H32N2O/c1-6-7-8-9-11-22-12-10-17-15(4)13-16(5)18(19(17)22)21-20(23)14(2)3/h13-14H,6-12H2,1-5H3,(H,21,23)
InChIKeyZCMDHNSRGXXVGM-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.84
Rot. Bonds7

About N-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide

N-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide (PubChem CID 10784241) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
PubChem CID10784241
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
SMILESCCCCCCN1CCc2c(C)cc(C)c(NC(=O)C(C)C)c21
InChIInChI=1S/C20H32N2O/c1-6-7-8-9-11-22-12-10-17-15(4)13-16(5)18(19(17)22)21-20(23)14(2)3/h13-14H,6-12H2,1-5H3,(H,21,23)
InChIKeyZCMDHNSRGXXVGM-UHFFFAOYSA-N
XLogP4.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide 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-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide?
The IUPAC name of N-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide (CID 10784241) is N-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide?
The canonical SMILES for N-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide is CCCCCCN1CCc2c(C)cc(C)c(NC(=O)C(C)C)c21.
What is the InChIKey of N-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide?
The InChIKey is ZCMDHNSRGXXVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-6-7-8-9-11-22-12-10-17-15(4)13-16(5)18(19(17)22)21-20(23)14(2)3/h13-14H,6-12H2,1-5H3,(H,21,23).
What are the key properties of N-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide?
N-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide has a molecular weight of 316.49 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hexyl-4,6-dimethyl-2,3-dihydroindol-7-yl)-2-methylpropanamide is sourced from PubChem (CID 10784241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).