N-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide

C16H23NO2 — CID 14913081

IUPACN-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide
SMILESCCCCCCNC(=O)C1(O)Cc2ccccc2C1
InChIInChI=1S/C16H23NO2/c1-2-3-4-7-10-17-15(18)16(19)11-13-8-5-6-9-14(13)12-16/h5-6,8-9,19H,2-4,7,10-12H2,1H3,(H,17,18)
InChIKeyRXWYJHSTLZQXNG-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.21
Rot. Bonds6

About N-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide

N-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide (PubChem CID 14913081) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide
PubChem CID14913081
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide
SMILESCCCCCCNC(=O)C1(O)Cc2ccccc2C1
InChIInChI=1S/C16H23NO2/c1-2-3-4-7-10-17-15(18)16(19)11-13-8-5-6-9-14(13)12-16/h5-6,8-9,19H,2-4,7,10-12H2,1H3,(H,17,18)
InChIKeyRXWYJHSTLZQXNG-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide (CID 14913081) is N-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide is CCCCCCNC(=O)C1(O)Cc2ccccc2C1.
What is the InChIKey of N-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide?
The InChIKey is RXWYJHSTLZQXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-4-7-10-17-15(18)16(19)11-13-8-5-6-9-14(13)12-16/h5-6,8-9,19H,2-4,7,10-12H2,1H3,(H,17,18).
What are the key properties of N-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide?
N-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide has a molecular weight of 261.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-hydroxy-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 14913081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).