4-N,4-N-dimethyl-2-N-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

C17H31N3O3 — CID 91924910

IUPAC4-N,4-N-dimethyl-2-N-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCC(C)CCNC(=O)N1CC(C(=O)N(C)C)C2(CCOCC2)C1
InChIInChI=1S/C17H31N3O3/c1-13(2)5-8-18-16(22)20-11-14(15(21)19(3)4)17(12-20)6-9-23-10-7-17/h13-14H,5-12H2,1-4H3,(H,18,22)
InChIKeyDQBAGVDEMKCUEH-UHFFFAOYSA-N
MW325.45 g/mol
LogP1.56
Rot. Bonds4

About 4-N,4-N-dimethyl-2-N-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

4-N,4-N-dimethyl-2-N-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (PubChem CID 91924910) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
PubChem CID91924910
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name4-N,4-N-dimethyl-2-N-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCC(C)CCNC(=O)N1CC(C(=O)N(C)C)C2(CCOCC2)C1
InChIInChI=1S/C17H31N3O3/c1-13(2)5-8-18-16(22)20-11-14(15(21)19(3)4)17(12-20)6-9-23-10-7-17/h13-14H,5-12H2,1-4H3,(H,18,22)
InChIKeyDQBAGVDEMKCUEH-UHFFFAOYSA-N
XLogP1.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The IUPAC name of 4-N,4-N-dimethyl-2-N-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (CID 91924910) is 4-N,4-N-dimethyl-2-N-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is CC(C)CCNC(=O)N1CC(C(=O)N(C)C)C2(CCOCC2)C1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The InChIKey is DQBAGVDEMKCUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-13(2)5-8-18-16(22)20-11-14(15(21)19(3)4)17(12-20)6-9-23-10-7-17/h13-14H,5-12H2,1-4H3,(H,18,22).
What are the key properties of 4-N,4-N-dimethyl-2-N-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
4-N,4-N-dimethyl-2-N-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide has a molecular weight of 325.45 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-(3-methylbutyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is sourced from PubChem (CID 91924910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).