N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide

C15H22N2O2 — CID 110485516

IUPACN-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide
SMILESCN1CCc2cc(C(=O)NCCCCCO)ccc21
InChIInChI=1S/C15H22N2O2/c1-17-9-7-12-11-13(5-6-14(12)17)15(19)16-8-3-2-4-10-18/h5-6,11,18H,2-4,7-10H2,1H3,(H,16,19)
InChIKeyWTOXNGHQAXDHTQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.57
Rot. Bonds6

About N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide

N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide (PubChem CID 110485516) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide
PubChem CID110485516
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide
SMILESCN1CCc2cc(C(=O)NCCCCCO)ccc21
InChIInChI=1S/C15H22N2O2/c1-17-9-7-12-11-13(5-6-14(12)17)15(19)16-8-3-2-4-10-18/h5-6,11,18H,2-4,7-10H2,1H3,(H,16,19)
InChIKeyWTOXNGHQAXDHTQ-UHFFFAOYSA-N
XLogP1.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.57
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

N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485487
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485493
N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485916
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485923
N-(2-hydroxyethyl)-N,1-dimethyl-2,3-dihydroindole-5-carboxamide
CID 110485469
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate
CID 110485913
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
1-methylsulfonyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydroindole-5-carboxamide
CID 55742076
1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 110485474

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide (CID 110485516) is N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide is CN1CCc2cc(C(=O)NCCCCCO)ccc21.
What is the InChIKey of N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is WTOXNGHQAXDHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-9-7-12-11-13(5-6-14(12)17)15(19)16-8-3-2-4-10-18/h5-6,11,18H,2-4,7-10H2,1H3,(H,16,19).
What are the key properties of N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide?
N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 110485516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).