(2R)-2-octadecyl-1,2-dihydroindol-3-one

C26H43NO — CID 162846310

IUPAC(2R)-2-octadecyl-1,2-dihydroindol-3-one
SMILESCCCCCCCCCCCCCCCCCC[C@H]1Nc2ccccc2C1=O
InChIInChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26(28)23-20-18-19-21-24(23)27-25/h18-21,25,27H,2-17,22H2,1H3/t25-/m1/s1
InChIKeyPSMNPLYVQPXMRY-RUZDIDTESA-N
MW385.64 g/mol
LogP8.31
Rot. Bonds17

About (2R)-2-octadecyl-1,2-dihydroindol-3-one

(2R)-2-octadecyl-1,2-dihydroindol-3-one (PubChem CID 162846310) has the molecular formula C26H43NO and a molecular weight of 385.64 g/mol. Its IUPAC name is (2R)-2-octadecyl-1,2-dihydroindol-3-one.

Molecular Properties

Compound Name(2R)-2-octadecyl-1,2-dihydroindol-3-one
PubChem CID162846310
Molecular FormulaC26H43NO
Molecular Weight385.64 g/mol
Exact Mass385.33
IUPAC Name(2R)-2-octadecyl-1,2-dihydroindol-3-one
SMILESCCCCCCCCCCCCCCCCCC[C@H]1Nc2ccccc2C1=O
InChIInChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26(28)23-20-18-19-21-24(23)27-25/h18-21,25,27H,2-17,22H2,1H3/t25-/m1/s1
InChIKeyPSMNPLYVQPXMRY-RUZDIDTESA-N
XLogP8.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.64
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hexadec-7-enyl-1,2-dihydroindol-3-one;naphthalene
CID 70259072
8-tetradecyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 21292499
3-hexyl-1,3-dihydroindol-2-one
CID 106986515
(2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one
CID 53304941
9-nonyl-9H-fluorene
CID 22568532
3-methyl-2-nonyl-2H-naphthalen-1-one
CID 141348039
4-hexyl-2-hydroxy-4H-isoquinoline-1,3-dione
CID 51041923
2-nonyl-2,3-dihydro-1H-indole
CID 65041926
3-octyl-3H-2-benzothiophen-1-one
CID 56970905
(2S)-2-butyl-3-phenyl-1,2-dihydroquinazolin-4-one
CID 125492546
(3S)-3-heptyl-3,4-dihydroisochromen-1-one
CID 102208201
3-fluoro-3-heptyl-1H-quinoline-2,4-dione
CID 2784364

Frequently Asked Questions

What is the IUPAC name of (2R)-2-octadecyl-1,2-dihydroindol-3-one?
The IUPAC name of (2R)-2-octadecyl-1,2-dihydroindol-3-one (CID 162846310) is (2R)-2-octadecyl-1,2-dihydroindol-3-one.
What is the SMILES notation for (2R)-2-octadecyl-1,2-dihydroindol-3-one?
The canonical SMILES for (2R)-2-octadecyl-1,2-dihydroindol-3-one is CCCCCCCCCCCCCCCCCC[C@H]1Nc2ccccc2C1=O.
What is the InChIKey of (2R)-2-octadecyl-1,2-dihydroindol-3-one?
The InChIKey is PSMNPLYVQPXMRY-RUZDIDTESA-N. The full InChI is InChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26(28)23-20-18-19-21-24(23)27-25/h18-21,25,27H,2-17,22H2,1H3/t25-/m1/s1.
What are the key properties of (2R)-2-octadecyl-1,2-dihydroindol-3-one?
(2R)-2-octadecyl-1,2-dihydroindol-3-one has a molecular weight of 385.64 g/mol, XLogP of 8.31, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-octadecyl-1,2-dihydroindol-3-one is sourced from PubChem (CID 162846310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).