(3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide

C16H28N2O3 — CID 163936497

IUPAC(3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide
SMILESCCCNC(=O)[C@@H]1C[C@@H]2CC3(CCC2N(C)C1)OCCO3
InChIInChI=1S/C16H28N2O3/c1-3-6-17-15(19)13-9-12-10-16(20-7-8-21-16)5-4-14(12)18(2)11-13/h12-14H,3-11H2,1-2H3,(H,17,19)/t12-,13-,14?/m1/s1
InChIKeyRNGXCKSKLBTDLH-ZFXTZCCVSA-N
MW296.41 g/mol
LogP1.38
Rot. Bonds3

About (3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide

(3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide (PubChem CID 163936497) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide.

Molecular Properties

Compound Name(3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide
PubChem CID163936497
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide
SMILESCCCNC(=O)[C@@H]1C[C@@H]2CC3(CCC2N(C)C1)OCCO3
InChIInChI=1S/C16H28N2O3/c1-3-6-17-15(19)13-9-12-10-16(20-7-8-21-16)5-4-14(12)18(2)11-13/h12-14H,3-11H2,1-2H3,(H,17,19)/t12-,13-,14?/m1/s1
InChIKeyRNGXCKSKLBTDLH-ZFXTZCCVSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide?
The IUPAC name of (3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide (CID 163936497) is (3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide.
What is the SMILES notation for (3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide?
The canonical SMILES for (3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide is CCCNC(=O)[C@@H]1C[C@@H]2CC3(CCC2N(C)C1)OCCO3.
What is the InChIKey of (3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide?
The InChIKey is RNGXCKSKLBTDLH-ZFXTZCCVSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-6-17-15(19)13-9-12-10-16(20-7-8-21-16)5-4-14(12)18(2)11-13/h12-14H,3-11H2,1-2H3,(H,17,19)/t12-,13-,14?/m1/s1.
What are the key properties of (3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide?
(3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3'R,4'aR)-1'-methyl-N-propylspiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydroquinoline]-3'-carboxamide is sourced from PubChem (CID 163936497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).