methyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

C17H30N2O3 — CID 45168583

IUPACmethyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCN1C(=O)CC(C(=O)OC)C12CCN(CCC(C)C)CC2
InChIInChI=1S/C17H30N2O3/c1-5-19-15(20)12-14(16(21)22-4)17(19)7-10-18(11-8-17)9-6-13(2)3/h13-14H,5-12H2,1-4H3
InChIKeyIDFYEHNPQYKMFS-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.91
Rot. Bonds5

About methyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 45168583) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is methyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID45168583
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Namemethyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCCN1C(=O)CC(C(=O)OC)C12CCN(CCC(C)C)CC2
InChIInChI=1S/C17H30N2O3/c1-5-19-15(20)12-14(16(21)22-4)17(19)7-10-18(11-8-17)9-6-13(2)3/h13-14H,5-12H2,1-4H3
InChIKeyIDFYEHNPQYKMFS-UHFFFAOYSA-N
XLogP1.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 45168583) is methyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is CCN1C(=O)CC(C(=O)OC)C12CCN(CCC(C)C)CC2.
What is the InChIKey of methyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is IDFYEHNPQYKMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-5-19-15(20)12-14(16(21)22-4)17(19)7-10-18(11-8-17)9-6-13(2)3/h13-14H,5-12H2,1-4H3.
What are the key properties of methyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-8-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 45168583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).