N,N-dibutyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

C18H31NO3 — CID 3931501

IUPACN,N-dibutyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CC(=O)OC12CCCCC2
InChIInChI=1S/C18H31NO3/c1-3-5-12-19(13-6-4-2)17(21)15-14-16(20)22-18(15)10-8-7-9-11-18/h15H,3-14H2,1-2H3
InChIKeyHCUJGJDBBBLUPM-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.68
Rot. Bonds7

About N,N-dibutyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

N,N-dibutyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 3931501) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is N,N-dibutyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID3931501
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC NameN,N-dibutyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CC(=O)OC12CCCCC2
InChIInChI=1S/C18H31NO3/c1-3-5-12-19(13-6-4-2)17(21)15-14-16(20)22-18(15)10-8-7-9-11-18/h15H,3-14H2,1-2H3
InChIKeyHCUJGJDBBBLUPM-UHFFFAOYSA-N
XLogP3.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N,N-dibutyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 3931501) is N,N-dibutyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N,N-dibutyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N,N-dibutyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is CCCCN(CCCC)C(=O)C1CC(=O)OC12CCCCC2.
What is the InChIKey of N,N-dibutyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is HCUJGJDBBBLUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-3-5-12-19(13-6-4-2)17(21)15-14-16(20)22-18(15)10-8-7-9-11-18/h15H,3-14H2,1-2H3.
What are the key properties of N,N-dibutyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
N,N-dibutyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 3931501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).