methyl 1-benzyl-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

C21H30N2O3 — CID 45180941

IUPACmethyl 1-benzyl-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)C1CC(=O)N(Cc2ccccc2)C12CCN(CC(C)C)CC2
InChIInChI=1S/C21H30N2O3/c1-16(2)14-22-11-9-21(10-12-22)18(20(25)26-3)13-19(24)23(21)15-17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3
InChIKeyMGABVKHKKSNGOG-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.70
Rot. Bonds5

About methyl 1-benzyl-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 1-benzyl-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 45180941) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is methyl 1-benzyl-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
PubChem CID45180941
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Namemethyl 1-benzyl-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)C1CC(=O)N(Cc2ccccc2)C12CCN(CC(C)C)CC2
InChIInChI=1S/C21H30N2O3/c1-16(2)14-22-11-9-21(10-12-22)18(20(25)26-3)13-19(24)23(21)15-17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3
InChIKeyMGABVKHKKSNGOG-UHFFFAOYSA-N
XLogP2.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 1-benzyl-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 45180941) is methyl 1-benzyl-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 1-benzyl-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 1-benzyl-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is COC(=O)C1CC(=O)N(Cc2ccccc2)C12CCN(CC(C)C)CC2.
What is the InChIKey of methyl 1-benzyl-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
The InChIKey is MGABVKHKKSNGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-16(2)14-22-11-9-21(10-12-22)18(20(25)26-3)13-19(24)23(21)15-17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3.
What are the key properties of methyl 1-benzyl-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate?
methyl 1-benzyl-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 358.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-8-(2-methylpropyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 45180941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).