2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide

C18H28N2O — CID 115567924

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide
SMILESCCCCCCCCNC(=O)CC1CNc2ccccc21
InChIInChI=1S/C18H28N2O/c1-2-3-4-5-6-9-12-19-18(21)13-15-14-20-17-11-8-7-10-16(15)17/h7-8,10-11,15,20H,2-6,9,12-14H2,1H3,(H,19,21)
InChIKeyBQSMPCRYPGWBQJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.06
Rot. Bonds9

About 2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide

2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide (PubChem CID 115567924) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide
PubChem CID115567924
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide
SMILESCCCCCCCCNC(=O)CC1CNc2ccccc21
InChIInChI=1S/C18H28N2O/c1-2-3-4-5-6-9-12-19-18(21)13-15-14-20-17-11-8-7-10-16(15)17/h7-8,10-11,15,20H,2-6,9,12-14H2,1H3,(H,19,21)
InChIKeyBQSMPCRYPGWBQJ-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-pentylacetamide
CID 80573792
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octanamide
CID 43125233
N-(2-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573388
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine
CID 115568760
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
2-(2,3-dihydro-1H-indol-3-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 80572253
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573936
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 80572556
2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 80573485
2-(2,3-dihydro-1H-indol-3-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 80572684

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide (CID 115567924) is 2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide is CCCCCCCCNC(=O)CC1CNc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide?
The InChIKey is BQSMPCRYPGWBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-3-4-5-6-9-12-19-18(21)13-15-14-20-17-11-8-7-10-16(15)17/h7-8,10-11,15,20H,2-6,9,12-14H2,1H3,(H,19,21).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide 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 2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide is sourced from PubChem (CID 115567924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).