N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide

C18H28N2O — CID 43125233

IUPACN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide
SMILESCCCCCCCC(=O)NCCC1CNc2ccccc21
InChIInChI=1S/C18H28N2O/c1-2-3-4-5-6-11-18(21)19-13-12-15-14-20-17-10-8-7-9-16(15)17/h7-10,15,20H,2-6,11-14H2,1H3,(H,19,21)
InChIKeyKFRHBHPYZGKUGO-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.06
Rot. Bonds9

About N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide (PubChem CID 43125233) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide
PubChem CID43125233
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide
SMILESCCCCCCCC(=O)NCCC1CNc2ccccc21
InChIInChI=1S/C18H28N2O/c1-2-3-4-5-6-11-18(21)19-13-12-15-14-20-17-10-8-7-9-16(15)17/h7-10,15,20H,2-6,11-14H2,1H3,(H,19,21)
InChIKeyKFRHBHPYZGKUGO-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide
CID 115567924
2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide
CID 80573792
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine
CID 115568760
tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate
CID 40546938
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
N-(2-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573388
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methoxy-2-methylpropanamide
CID 103019631
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 24700732
4-(2,3-dihydro-1H-indol-3-yl)butanamide
CID 67613869
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide
CID 89199878
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,3-dimethylbenzamide
CID 24709751
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methylcyclopentane-1-carboxamide
CID 107176784

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide (CID 43125233) is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide is CCCCCCCC(=O)NCCC1CNc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide?
The InChIKey is KFRHBHPYZGKUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-3-4-5-6-11-18(21)19-13-12-15-14-20-17-10-8-7-9-16(15)17/h7-10,15,20H,2-6,11-14H2,1H3,(H,19,21).
What are the key properties of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide?
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide has a molecular weight of 288.44 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide is sourced from PubChem (CID 43125233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).