N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide

C11H19NO3 — CID 11138442

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
SMILESCC(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C11H19NO3/c1-9(13)12-7-10-8-14-11(15-10)5-3-2-4-6-11/h10H,2-8H2,1H3,(H,12,13)
InChIKeyBIAQDHAKKCFALJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.20
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide (PubChem CID 11138442) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
PubChem CID11138442
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
SMILESCC(=O)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C11H19NO3/c1-9(13)12-7-10-8-14-11(15-10)5-3-2-4-6-11/h10H,2-8H2,1H3,(H,12,13)
InChIKeyBIAQDHAKKCFALJ-UHFFFAOYSA-N
XLogP1.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.20
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[4.5]decan-3-ylmethyl)acetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide (CID 11138442) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide is CC(=O)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide?
The InChIKey is BIAQDHAKKCFALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(13)12-7-10-8-14-11(15-10)5-3-2-4-6-11/h10H,2-8H2,1H3,(H,12,13).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide has a molecular weight of 213.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide is sourced from PubChem (CID 11138442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).