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

C15H22N2O — CID 80573792

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)CC1CNc2ccccc21
InChIInChI=1S/C15H22N2O/c1-2-3-6-9-16-15(18)10-12-11-17-14-8-5-4-7-13(12)14/h4-5,7-8,12,17H,2-3,6,9-11H2,1H3,(H,16,18)
InChIKeyQVXKBEUZXNDTJU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.89
Rot. Bonds6

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

2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide (PubChem CID 80573792) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide
PubChem CID80573792
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)CC1CNc2ccccc21
InChIInChI=1S/C15H22N2O/c1-2-3-6-9-16-15(18)10-12-11-17-14-8-5-4-7-13(12)14/h4-5,7-8,12,17H,2-3,6,9-11H2,1H3,(H,16,18)
InChIKeyQVXKBEUZXNDTJU-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.89
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
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
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-pyrrol-1-ylethyl)acetamide
CID 106390914
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
2-(2,3-dihydro-1H-indol-3-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 80572253
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine
CID 115568760
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573936
(2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 107146830
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide (CID 80573792) is 2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide is CCCCCNC(=O)CC1CNc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide?
The InChIKey is QVXKBEUZXNDTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-6-9-16-15(18)10-12-11-17-14-8-5-4-7-13(12)14/h4-5,7-8,12,17H,2-3,6,9-11H2,1H3,(H,16,18).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide has a molecular weight of 246.35 g/mol, XLogP of 2.89, 6 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-pentylacetamide is sourced from PubChem (CID 80573792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).