N-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide

C15H28N2O2 — CID 71869588

IUPACN-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide
SMILESCOCCCNC(=O)CN1C(C)CC2CCCCC21
InChIInChI=1S/C15H28N2O2/c1-12-10-13-6-3-4-7-14(13)17(12)11-15(18)16-8-5-9-19-2/h12-14H,3-11H2,1-2H3,(H,16,18)
InChIKeyJOAGZIFPDGPINK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds6

About N-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide

N-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide (PubChem CID 71869588) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide
PubChem CID71869588
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide
SMILESCOCCCNC(=O)CN1C(C)CC2CCCCC21
InChIInChI=1S/C15H28N2O2/c1-12-10-13-6-3-4-7-14(13)17(12)11-15(18)16-8-5-9-19-2/h12-14H,3-11H2,1-2H3,(H,16,18)
InChIKeyJOAGZIFPDGPINK-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide
CID 55236053
N-(3-methoxypropyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 78787278
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 75841412
2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride
CID 119784924
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
2-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxypropyl)acetamide
CID 78787184
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 62014539
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 102787948
methyl 5-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)amino]pentanoate
CID 71920809
N'-cyclohexyl-N-(3-methoxypropyl)propanediamide
CID 108942501
2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide
CID 54957148
N-(3-methoxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 94869868

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide (CID 71869588) is N-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide is COCCCNC(=O)CN1C(C)CC2CCCCC21.
What is the InChIKey of N-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide?
The InChIKey is JOAGZIFPDGPINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-10-13-6-3-4-7-14(13)17(12)11-15(18)16-8-5-9-19-2/h12-14H,3-11H2,1-2H3,(H,16,18).
What are the key properties of N-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide?
N-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide has a molecular weight of 268.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetamide is sourced from PubChem (CID 71869588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).