N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methylpropanamide

C12H21NO3 — CID 18583939

IUPACN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC1COC2(CCCC2)O1
InChIInChI=1S/C12H21NO3/c1-9(2)11(14)13-7-10-8-15-12(16-10)5-3-4-6-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyMWVUCSRQUTUWCH-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.44
Rot. Bonds3

About N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methylpropanamide

N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methylpropanamide (PubChem CID 18583939) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methylpropanamide
PubChem CID18583939
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC1COC2(CCCC2)O1
InChIInChI=1S/C12H21NO3/c1-9(2)11(14)13-7-10-8-15-12(16-10)5-3-4-6-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyMWVUCSRQUTUWCH-UHFFFAOYSA-N
XLogP1.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methylpropanamide?
The IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methylpropanamide (CID 18583939) is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methylpropanamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methylpropanamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methylpropanamide is CC(C)C(=O)NCC1COC2(CCCC2)O1.
What is the InChIKey of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methylpropanamide?
The InChIKey is MWVUCSRQUTUWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(2)11(14)13-7-10-8-15-12(16-10)5-3-4-6-12/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methylpropanamide?
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methylpropanamide has a molecular weight of 227.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-2-methylpropanamide is sourced from PubChem (CID 18583939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).