N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxy-N-methylacetamide

C12H21NO4 — CID 79111468

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H21NO4/c1-13(11(14)9-15-2)10-3-5-12(6-4-10)16-7-8-17-12/h10H,3-9H2,1-2H3
InChIKeyOFPHISVFQPCXTB-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.78
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxy-N-methylacetamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxy-N-methylacetamide (PubChem CID 79111468) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxy-N-methylacetamide
PubChem CID79111468
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H21NO4/c1-13(11(14)9-15-2)10-3-5-12(6-4-10)16-7-8-17-12/h10H,3-9H2,1-2H3
InChIKeyOFPHISVFQPCXTB-UHFFFAOYSA-N
XLogP0.78
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxy-N-methylacetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxy-N-methylacetamide (CID 79111468) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxy-N-methylacetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxy-N-methylacetamide is COCC(=O)N(C)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxy-N-methylacetamide?
The InChIKey is OFPHISVFQPCXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-13(11(14)9-15-2)10-3-5-12(6-4-10)16-7-8-17-12/h10H,3-9H2,1-2H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxy-N-methylacetamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxy-N-methylacetamide has a molecular weight of 243.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxy-N-methylacetamide is sourced from PubChem (CID 79111468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).