2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide

C19H32N2O3 — CID 95157303

IUPAC2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(CN1CCC[C@@H]2CCCC[C@@H]21)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C19H32N2O3/c22-18(14-21-11-3-5-15-4-1-2-6-17(15)21)20-16-7-9-19(10-8-16)23-12-13-24-19/h15-17H,1-14H2,(H,20,22)/t15-,17-/m0/s1
InChIKeyHXQAASJTIMZQRY-RDJZCZTQSA-N
MW336.48 g/mol
LogP2.44
Rot. Bonds3

About 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide

2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide (PubChem CID 95157303) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound Name2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
PubChem CID95157303
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
SMILESO=C(CN1CCC[C@@H]2CCCC[C@@H]21)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C19H32N2O3/c22-18(14-21-11-3-5-15-4-1-2-6-17(15)21)20-16-7-9-19(10-8-16)23-12-13-24-19/h15-17H,1-14H2,(H,20,22)/t15-,17-/m0/s1
InChIKeyHXQAASJTIMZQRY-RDJZCZTQSA-N
XLogP2.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide with MolForge

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
CID 51120174
2-(2-cyclopentylpyrrolidin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 47314665
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]acetamide
CID 94839949
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[(3R)-3-(2-hydroxyethyl)morpholin-4-yl]acetamide
CID 97068758
2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 129323249
2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 129323248
N-cyclopentyl-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 102852259
N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetamide
CID 114339537
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide
CID 51260505
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 91646496
2-cyclopropyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 112729642
(3R,6S)-1-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
CID 95621671

Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide (CID 95157303) is 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide is O=C(CN1CCC[C@@H]2CCCC[C@@H]21)NC1CCC2(CC1)OCCO2.
What is the InChIKey of 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is HXQAASJTIMZQRY-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H32N2O3/c22-18(14-21-11-3-5-15-4-1-2-6-17(15)21)20-16-7-9-19(10-8-16)23-12-13-24-19/h15-17H,1-14H2,(H,20,22)/t15-,17-/m0/s1.
What are the key properties of 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 336.48 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 95157303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).