5-hydroxy-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)pentanamide

C19H30N2O2 — CID 146564499

IUPAC5-hydroxy-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)pentanamide
SMILESCC(C)N1c2cc(NC(=O)CCCCO)ccc2C(C)(C)C1C
InChIInChI=1S/C19H30N2O2/c1-13(2)21-14(3)19(4,5)16-10-9-15(12-17(16)21)20-18(23)8-6-7-11-22/h9-10,12-14,22H,6-8,11H2,1-5H3,(H,20,23)
InChIKeyKKGDITIZNLCJGP-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.68
Rot. Bonds6

About 5-hydroxy-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)pentanamide

5-hydroxy-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)pentanamide (PubChem CID 146564499) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 5-hydroxy-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)pentanamide
PubChem CID146564499
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name5-hydroxy-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)pentanamide
SMILESCC(C)N1c2cc(NC(=O)CCCCO)ccc2C(C)(C)C1C
InChIInChI=1S/C19H30N2O2/c1-13(2)21-14(3)19(4,5)16-10-9-15(12-17(16)21)20-18(23)8-6-7-11-22/h9-10,12-14,22H,6-8,11H2,1-5H3,(H,20,23)
InChIKeyKKGDITIZNLCJGP-UHFFFAOYSA-N
XLogP3.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)propanamide
CID 146564761
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-6-hydroxyhexanamide
CID 18952427
N-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypentanamide
CID 79199175
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)heptanamide
CID 18952407
4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide
CID 79199156
N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide
CID 171981229
5-hydroxy-N-(4-methoxy-3-methylphenyl)pentanamide
CID 79208943
N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide
CID 79199585
N-(3,5-dichlorophenyl)-5-hydroxypentanamide
CID 79019042
N-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629316
5-hydroxy-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 79194887
N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide
CID 107623363

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)pentanamide?
The IUPAC name of 5-hydroxy-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)pentanamide (CID 146564499) is 5-hydroxy-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)pentanamide.
What is the SMILES notation for 5-hydroxy-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)pentanamide?
The canonical SMILES for 5-hydroxy-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)pentanamide is CC(C)N1c2cc(NC(=O)CCCCO)ccc2C(C)(C)C1C.
What is the InChIKey of 5-hydroxy-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)pentanamide?
The InChIKey is KKGDITIZNLCJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13(2)21-14(3)19(4,5)16-10-9-15(12-17(16)21)20-18(23)8-6-7-11-22/h9-10,12-14,22H,6-8,11H2,1-5H3,(H,20,23).
What are the key properties of 5-hydroxy-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)pentanamide?
5-hydroxy-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)pentanamide has a molecular weight of 318.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl)pentanamide is sourced from PubChem (CID 146564499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).