3-methyl-N-[1-(2-methylpropoxy)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C16H30N2O4 — CID 75421780

IUPAC3-methyl-N-[1-(2-methylpropoxy)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC(C)COCC(C)NC(=O)N1CCC2(CC1)OCC(C)O2
InChIInChI=1S/C16H30N2O4/c1-12(2)9-20-10-13(3)17-15(19)18-7-5-16(6-8-18)21-11-14(4)22-16/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeySKQXTTSSPWYBPV-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.98
Rot. Bonds5

About 3-methyl-N-[1-(2-methylpropoxy)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

3-methyl-N-[1-(2-methylpropoxy)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 75421780) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-methyl-N-[1-(2-methylpropoxy)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(2-methylpropoxy)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID75421780
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name3-methyl-N-[1-(2-methylpropoxy)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCC(C)COCC(C)NC(=O)N1CCC2(CC1)OCC(C)O2
InChIInChI=1S/C16H30N2O4/c1-12(2)9-20-10-13(3)17-15(19)18-7-5-16(6-8-18)21-11-14(4)22-16/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeySKQXTTSSPWYBPV-UHFFFAOYSA-N
XLogP1.98
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2-methylpropoxy)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 3-methyl-N-[1-(2-methylpropoxy)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 75421780) is 3-methyl-N-[1-(2-methylpropoxy)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(2-methylpropoxy)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(2-methylpropoxy)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is CC(C)COCC(C)NC(=O)N1CCC2(CC1)OCC(C)O2.
What is the InChIKey of 3-methyl-N-[1-(2-methylpropoxy)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is SKQXTTSSPWYBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-12(2)9-20-10-13(3)17-15(19)18-7-5-16(6-8-18)21-11-14(4)22-16/h12-14H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 3-methyl-N-[1-(2-methylpropoxy)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
3-methyl-N-[1-(2-methylpropoxy)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2-methylpropoxy)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 75421780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).