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

C16H27NO3 — CID 18583816

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCC1COC2(CCCCC2)O1)C1CCCCC1
InChIInChI=1S/C16H27NO3/c18-15(13-7-3-1-4-8-13)17-11-14-12-19-16(20-14)9-5-2-6-10-16/h13-14H,1-12H2,(H,17,18)
InChIKeyPGFIOEIKAMCDGH-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.76
Rot. Bonds3

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

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanecarboxamide (PubChem CID 18583816) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanecarboxamide
PubChem CID18583816
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCC1COC2(CCCCC2)O1)C1CCCCC1
InChIInChI=1S/C16H27NO3/c18-15(13-7-3-1-4-8-13)17-11-14-12-19-16(20-14)9-5-2-6-10-16/h13-14H,1-12H2,(H,17,18)
InChIKeyPGFIOEIKAMCDGH-UHFFFAOYSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.76
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)cyclohexanecarboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanecarboxamide (CID 18583816) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanecarboxamide is O=C(NCC1COC2(CCCCC2)O1)C1CCCCC1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanecarboxamide?
The InChIKey is PGFIOEIKAMCDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-15(13-7-3-1-4-8-13)17-11-14-12-19-16(20-14)9-5-2-6-10-16/h13-14H,1-12H2,(H,17,18).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanecarboxamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)cyclohexanecarboxamide has a molecular weight of 281.40 g/mol, XLogP of 2.76, 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[4.5]decan-3-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 18583816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).