propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate

C20H28N2O3 — CID 72939969

IUPACpropyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCCCOC(=O)N1CCC2(CC1)CC(c1ccccc1)C(=O)N(C)C2
InChIInChI=1S/C20H28N2O3/c1-3-13-25-19(24)22-11-9-20(10-12-22)14-17(18(23)21(2)15-20)16-7-5-4-6-8-16/h4-8,17H,3,9-15H2,1-2H3
InChIKeyWIGRMOHCJNRZMR-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.26
Rot. Bonds3

About propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate

propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 72939969) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Namepropyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID72939969
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Namepropyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCCCOC(=O)N1CCC2(CC1)CC(c1ccccc1)C(=O)N(C)C2
InChIInChI=1S/C20H28N2O3/c1-3-13-25-19(24)22-11-9-20(10-12-22)14-17(18(23)21(2)15-20)16-7-5-4-6-8-16/h4-8,17H,3,9-15H2,1-2H3
InChIKeyWIGRMOHCJNRZMR-UHFFFAOYSA-N
XLogP3.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 72939969) is propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate is CCCOC(=O)N1CCC2(CC1)CC(c1ccccc1)C(=O)N(C)C2.
What is the InChIKey of propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is WIGRMOHCJNRZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-3-13-25-19(24)22-11-9-20(10-12-22)14-17(18(23)21(2)15-20)16-7-5-4-6-8-16/h4-8,17H,3,9-15H2,1-2H3.
What are the key properties of propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 344.46 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 72939969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).