N-(2-methyl-1H-indol-3-yl)octanamide

C17H24N2O — CID 146096464

IUPACN-(2-methyl-1H-indol-3-yl)octanamide
SMILESCCCCCCCC(=O)Nc1c(C)[nH]c2ccccc12
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-7-12-16(20)19-17-13(2)18-15-11-9-8-10-14(15)17/h8-11,18H,3-7,12H2,1-2H3,(H,19,20)
InChIKeyMDDSLSBAMKJERU-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.78
Rot. Bonds7

About N-(2-methyl-1H-indol-3-yl)octanamide

N-(2-methyl-1H-indol-3-yl)octanamide (PubChem CID 146096464) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2-methyl-1H-indol-3-yl)octanamide.

Molecular Properties

Compound NameN-(2-methyl-1H-indol-3-yl)octanamide
PubChem CID146096464
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(2-methyl-1H-indol-3-yl)octanamide
SMILESCCCCCCCC(=O)Nc1c(C)[nH]c2ccccc12
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-7-12-16(20)19-17-13(2)18-15-11-9-8-10-14(15)17/h8-11,18H,3-7,12H2,1-2H3,(H,19,20)
InChIKeyMDDSLSBAMKJERU-UHFFFAOYSA-N
XLogP4.78
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)tridecanamide
CID 54678159
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide
CID 54704146
4-amino-4-methyl-N-(2-methyl-1H-indol-3-yl)pentanamide
CID 115157504
3,3-dimethyl-N-(2-methyl-1H-indol-3-yl)butanamide
CID 146109310
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-naphthalen-1-yldodecanamide
CID 588517
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
1-(dodecanoylamino)naphthalene-2-carboxylic acid
CID 21470620
2-(aminomethyl)-N-(2-methyl-1H-indol-3-yl)butanamide
CID 115186828
2-(1-methylcyclohexyl)-N-(2-methyl-1H-indol-3-yl)acetamide
CID 146096465
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1H-indol-3-yl)octanamide?
The IUPAC name of N-(2-methyl-1H-indol-3-yl)octanamide (CID 146096464) is N-(2-methyl-1H-indol-3-yl)octanamide.
What is the SMILES notation for N-(2-methyl-1H-indol-3-yl)octanamide?
The canonical SMILES for N-(2-methyl-1H-indol-3-yl)octanamide is CCCCCCCC(=O)Nc1c(C)[nH]c2ccccc12.
What is the InChIKey of N-(2-methyl-1H-indol-3-yl)octanamide?
The InChIKey is MDDSLSBAMKJERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-4-5-6-7-12-16(20)19-17-13(2)18-15-11-9-8-10-14(15)17/h8-11,18H,3-7,12H2,1-2H3,(H,19,20).
What are the key properties of N-(2-methyl-1H-indol-3-yl)octanamide?
N-(2-methyl-1H-indol-3-yl)octanamide has a molecular weight of 272.39 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1H-indol-3-yl)octanamide is sourced from PubChem (CID 146096464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).