methyl 2-benzhydryl-2,9-diazaspiro[5.5]undecane-9-carboxylate

C24H30N2O2 — CID 3234918

IUPACmethyl 2-benzhydryl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCOC(=O)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1
InChIInChI=1S/C24H30N2O2/c1-28-23(27)25-17-14-24(15-18-25)13-8-16-26(19-24)22(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,22H,8,13-19H2,1H3
InChIKeyMTLQELUWNPPDMQ-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.72
Rot. Bonds3

About methyl 2-benzhydryl-2,9-diazaspiro[5.5]undecane-9-carboxylate

methyl 2-benzhydryl-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 3234918) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is methyl 2-benzhydryl-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Namemethyl 2-benzhydryl-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID3234918
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Namemethyl 2-benzhydryl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCOC(=O)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1
InChIInChI=1S/C24H30N2O2/c1-28-23(27)25-17-14-24(15-18-25)13-8-16-26(19-24)22(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,22H,8,13-19H2,1H3
InChIKeyMTLQELUWNPPDMQ-UHFFFAOYSA-N
XLogP4.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-benzhydryl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of methyl 2-benzhydryl-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 3234918) is methyl 2-benzhydryl-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for methyl 2-benzhydryl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for methyl 2-benzhydryl-2,9-diazaspiro[5.5]undecane-9-carboxylate is COC(=O)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1.
What is the InChIKey of methyl 2-benzhydryl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is MTLQELUWNPPDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-28-23(27)25-17-14-24(15-18-25)13-8-16-26(19-24)22(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,22H,8,13-19H2,1H3.
What are the key properties of methyl 2-benzhydryl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
methyl 2-benzhydryl-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 378.52 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzhydryl-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 3234918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).