2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide

C15H27N3O2 — CID 51260505

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide
SMILESCC(=O)NCCNC(=O)CN1CCCC2CCCCC21
InChIInChI=1S/C15H27N3O2/c1-12(19)16-8-9-17-15(20)11-18-10-4-6-13-5-2-3-7-14(13)18/h13-14H,2-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyZOOIIYIBHUGBFA-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.89
Rot. Bonds5

About 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide (PubChem CID 51260505) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide
PubChem CID51260505
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide
SMILESCC(=O)NCCNC(=O)CN1CCCC2CCCCC21
InChIInChI=1S/C15H27N3O2/c1-12(19)16-8-9-17-15(20)11-18-10-4-6-13-5-2-3-7-14(13)18/h13-14H,2-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyZOOIIYIBHUGBFA-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide with MolForge

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Related Compounds

1-[2-(2-acetamidoethylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564329
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(methylcarbamoyl)acetamide
CID 11931369
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
CID 11930936
N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 55076268
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid
CID 43409735
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid;hydrochloride
CID 67010209
2-(2-cyclopentylpyrrolidin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 47314665
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 73144060
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N'-acetylacetohydrazide
CID 102681798
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 11930988
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-cyclopentylethanone
CID 104750870
N-(2-acetamidoethyl)-2-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 96500485

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide (CID 51260505) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide is CC(=O)NCCNC(=O)CN1CCCC2CCCCC21.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide?
The InChIKey is ZOOIIYIBHUGBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(19)16-8-9-17-15(20)11-18-10-4-6-13-5-2-3-7-14(13)18/h13-14H,2-11H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide has a molecular weight of 281.40 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide is sourced from PubChem (CID 51260505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).