phenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

C20H30N2O2 — CID 3233826

IUPACphenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)CN1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2
InChIInChI=1S/C20H30N2O2/c1-17(2)16-21-12-8-20(9-13-21)10-14-22(15-11-20)19(23)24-18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3
InChIKeyKIBQGBPABYXGOT-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.02
Rot. Bonds3

About phenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

phenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 3233826) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is phenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Namephenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID3233826
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Namephenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCC(C)CN1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2
InChIInChI=1S/C20H30N2O2/c1-17(2)16-21-12-8-20(9-13-21)10-14-22(15-11-20)19(23)24-18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3
InChIKeyKIBQGBPABYXGOT-UHFFFAOYSA-N
XLogP4.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of phenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 3233826) is phenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for phenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for phenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is CC(C)CN1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2.
What is the InChIKey of phenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is KIBQGBPABYXGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-17(2)16-21-12-8-20(9-13-21)10-14-22(15-11-20)19(23)24-18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3.
What are the key properties of phenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
phenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 330.47 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 3233826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).