N-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide

C24H41N3O — CID 24950722

IUPACN-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCCCCCCCCN1CCc2c(C)c(CN)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C24H41N3O/c1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-25)18(3)21(22(19)27)26-23(28)24(4,5)6/h7-16,25H2,1-6H3,(H,26,28)
InChIKeyPWXXQEOPDLLFCY-UHFFFAOYSA-N
MW387.61 g/mol
LogP5.47
Rot. Bonds9

About N-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide

N-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (PubChem CID 24950722) has the molecular formula C24H41N3O and a molecular weight of 387.61 g/mol. Its IUPAC name is N-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
PubChem CID24950722
Molecular FormulaC24H41N3O
Molecular Weight387.61 g/mol
Exact Mass387.32
IUPAC NameN-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCCCCCCCCN1CCc2c(C)c(CN)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C24H41N3O/c1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-25)18(3)21(22(19)27)26-23(28)24(4,5)6/h7-16,25H2,1-6H3,(H,26,28)
InChIKeyPWXXQEOPDLLFCY-UHFFFAOYSA-N
XLogP5.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide 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-(4,6-dimethyl-1-octylindolin-7-yl)pivalamide
CID 9975693
KY-455
CID 9819918
N-(1-Hexyl-2,3-dihydro-4,6-dimethyl-1H-indol-7-yl)-2,2-dimethylpropanamide
CID 9929135
N-(5-Methanesulfonylamino-4,6-dimethyl-1-octylindolin-7-yl)-2,2-dimethylpropanamide
CID 9981277
N-(5-Methanesulfonylamino-1,4,6-trimethylindolin-7-yl)-2,2-dimethylpropanamide
CID 9998209
N-(5-Methanesulfonylamino-4,6-dimethyl-1-propylindolin-7-yl)-2,2-dimethylpropanamide
CID 9999913
N-[5-Methanesulfonylamino-4,6-dimethyl-1-(2-methylpropyl)indolin-7-yl]-2,2-dimethylpropanamide
CID 10023617
N-[5-Methanesulfonylamino-4,6-dimethyl-1-(3-methyl-2-butenyl)indolin-7-yl]-2,2-dimethylpropanamide
CID 10046998
N-(5-Methanesulfonylamino-4,6-dimethyl-1-pentylindolin-7-yl)-2,2-dimethylpropanamide
CID 10092947
N-[1-(Cyclopropylmethyl)-5-methanesulfonylamino-4,6-dimethylindolin-7-yl]-2,2-dimethylpropanamide
CID 10250001
N-(1-Isopropyl-5-methanesulfonylamino-4,6-dimethylindolin-7-yl)-2,2-dimethylpropanamide
CID 10317724
N-[1-(Cyclobutylmethyl)-5-methanesulfonylamino-4,6-dimethylindolin-7-yl]-2,2-dimethylpropanamide
CID 10319240

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (CID 24950722) is N-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is CCCCCCCCN1CCc2c(C)c(CN)c(C)c(NC(=O)C(C)(C)C)c21.
What is the InChIKey of N-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The InChIKey is PWXXQEOPDLLFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O/c1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-25)18(3)21(22(19)27)26-23(28)24(4,5)6/h7-16,25H2,1-6H3,(H,26,28).
What are the key properties of N-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
N-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide has a molecular weight of 387.61 g/mol, XLogP of 5.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-4,6-dimethyl-1-octyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24950722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).