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

C15H27NO3 — CID 79111969

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylhexanamide
SMILESCCCCCC(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H27NO3/c1-3-4-5-6-14(17)16(2)13-7-9-15(10-8-13)18-11-12-19-15/h13H,3-12H2,1-2H3
InChIKeyKMXFJPNVPIQXID-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.71
Rot. Bonds5

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylhexanamide (PubChem CID 79111969) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylhexanamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylhexanamide
PubChem CID79111969
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylhexanamide
SMILESCCCCCC(=O)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H27NO3/c1-3-4-5-6-14(17)16(2)13-7-9-15(10-8-13)18-11-12-19-15/h13H,3-12H2,1-2H3
InChIKeyKMXFJPNVPIQXID-UHFFFAOYSA-N
XLogP2.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylhexanamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylhexanamide (CID 79111969) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylhexanamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylhexanamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylhexanamide is CCCCCC(=O)N(C)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylhexanamide?
The InChIKey is KMXFJPNVPIQXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-4-5-6-14(17)16(2)13-7-9-15(10-8-13)18-11-12-19-15/h13H,3-12H2,1-2H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylhexanamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylhexanamide has a molecular weight of 269.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylhexanamide is sourced from PubChem (CID 79111969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).