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

C12H21NO4 — CID 47308334

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxypropanamide
SMILESCOC(C)C(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H21NO4/c1-9(15-2)11(14)13-10-3-5-12(6-4-10)16-7-8-17-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyQVVGNWUAIPUBBQ-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.82
Rot. Bonds3

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxypropanamide (PubChem CID 47308334) 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-methoxypropanamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxypropanamide
PubChem CID47308334
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxypropanamide
SMILESCOC(C)C(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H21NO4/c1-9(15-2)11(14)13-10-3-5-12(6-4-10)16-7-8-17-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyQVVGNWUAIPUBBQ-UHFFFAOYSA-N
XLogP0.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
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-methoxypropanamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxypropanamide (CID 47308334) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxypropanamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxypropanamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxypropanamide is COC(C)C(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxypropanamide?
The InChIKey is QVVGNWUAIPUBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(15-2)11(14)13-10-3-5-12(6-4-10)16-7-8-17-12/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxypropanamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methoxypropanamide has a molecular weight of 243.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 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-methoxypropanamide is sourced from PubChem (CID 47308334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).