N-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide

C16H28N2O3 — CID 14552458

IUPACN-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide
SMILESCCCN1CCC(NC(C)=O)C2CC3(CCC21)OCCO3
InChIInChI=1S/C16H28N2O3/c1-3-7-18-8-5-14(17-12(2)19)13-11-16(6-4-15(13)18)20-9-10-21-16/h13-15H,3-11H2,1-2H3,(H,17,19)
InChIKeyJFICUXNNSANATA-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.52
Rot. Bonds3

About N-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide

N-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide (PubChem CID 14552458) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide.

Molecular Properties

Compound NameN-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide
PubChem CID14552458
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide
SMILESCCCN1CCC(NC(C)=O)C2CC3(CCC21)OCCO3
InChIInChI=1S/C16H28N2O3/c1-3-7-18-8-5-14(17-12(2)19)13-11-16(6-4-15(13)18)20-9-10-21-16/h13-15H,3-11H2,1-2H3,(H,17,19)
InChIKeyJFICUXNNSANATA-UHFFFAOYSA-N
XLogP1.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide with MolForge

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Related Compounds

rac-(4'aR,8'aS)-octahydro-1'H-spiro[1,3-dioxolane-2,6'-quinoline]
CID 96858903
(3'R,4'aR,8'aR)-1'-methyl-N-(3,3,3-trifluoropropyl)spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide
CID 68309304
(3'R,4'aR,8'aR)-1'-methyl-N-(4,4,4-trifluorobutyl)spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide
CID 68309312
(4aS,8aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one
CID 57241250
(4aR,8aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one
CID 11745920
1'-Propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine
CID 14552454
4'-(Dimethylsulfamoylamino)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]
CID 14552455
(4aS,8aS)-spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one
CID 57231899
Spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one
CID 57282025
(4'S,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine
CID 67915702
(4'R,4'aR,8'aS)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-amine
CID 67915737
(4'S,4'aS,8'aS)-4'-(dimethylsulfamoylamino)-1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]
CID 67915747

Frequently Asked Questions

What is the IUPAC name of N-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide?
The IUPAC name of N-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide (CID 14552458) is N-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide.
What is the SMILES notation for N-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide?
The canonical SMILES for N-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide is CCCN1CCC(NC(C)=O)C2CC3(CCC21)OCCO3.
What is the InChIKey of N-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide?
The InChIKey is JFICUXNNSANATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-7-18-8-5-14(17-12(2)19)13-11-16(6-4-15(13)18)20-9-10-21-16/h13-15H,3-11H2,1-2H3,(H,17,19).
What are the key properties of N-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide?
N-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide has a molecular weight of 296.41 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-4'-yl)acetamide is sourced from PubChem (CID 14552458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).