N,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide

C19H33NO4 — CID 4315062

IUPACN,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CC(=O)OC12CCOC(C)(C)C2
InChIInChI=1S/C19H33NO4/c1-5-7-10-20(11-8-6-2)17(22)15-13-16(21)24-19(15)9-12-23-18(3,4)14-19/h15H,5-14H2,1-4H3
InChIKeyOJMDJGREWFCSIH-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.31
Rot. Bonds7

About N,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide

N,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide (PubChem CID 4315062) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is N,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
PubChem CID4315062
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC NameN,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CC(=O)OC12CCOC(C)(C)C2
InChIInChI=1S/C19H33NO4/c1-5-7-10-20(11-8-6-2)17(22)15-13-16(21)24-19(15)9-12-23-18(3,4)14-19/h15H,5-14H2,1-4H3
InChIKeyOJMDJGREWFCSIH-UHFFFAOYSA-N
XLogP3.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide (CID 4315062) is N,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide is CCCCN(CCCC)C(=O)C1CC(=O)OC12CCOC(C)(C)C2.
What is the InChIKey of N,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide?
The InChIKey is OJMDJGREWFCSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4/c1-5-7-10-20(11-8-6-2)17(22)15-13-16(21)24-19(15)9-12-23-18(3,4)14-19/h15H,5-14H2,1-4H3.
What are the key properties of N,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide?
N,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 4315062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).