N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methyloxolane-2-carboxamide

C14H23NO4 — CID 80980267

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NC2CCC3(CC2)OCCO3)O1
InChIInChI=1S/C14H23NO4/c1-10-2-3-12(19-10)13(16)15-11-4-6-14(7-5-11)17-8-9-18-14/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyCMBIACYBRZKNIW-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.36
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methyloxolane-2-carboxamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methyloxolane-2-carboxamide (PubChem CID 80980267) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methyloxolane-2-carboxamide
PubChem CID80980267
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NC2CCC3(CC2)OCCO3)O1
InChIInChI=1S/C14H23NO4/c1-10-2-3-12(19-10)13(16)15-11-4-6-14(7-5-11)17-8-9-18-14/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyCMBIACYBRZKNIW-UHFFFAOYSA-N
XLogP1.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.36
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)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methyloxolane-2-carboxamide (CID 80980267) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)NC2CCC3(CC2)OCCO3)O1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methyloxolane-2-carboxamide?
The InChIKey is CMBIACYBRZKNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10-2-3-12(19-10)13(16)15-11-4-6-14(7-5-11)17-8-9-18-14/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methyloxolane-2-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-methyloxolane-2-carboxamide has a molecular weight of 269.34 g/mol, XLogP of 1.36, 2 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)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 80980267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).