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

C23H27N3O3 — CID 3232845

IUPACphenyl 2-(phenylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESO=C(Nc1ccccc1)N1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1
InChIInChI=1S/C23H27N3O3/c27-21(24-19-8-3-1-4-9-19)26-15-7-12-23(18-26)13-16-25(17-14-23)22(28)29-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2,(H,24,27)
InChIKeyBERISRQFWNFRGX-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.60
Rot. Bonds2

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

phenyl 2-(phenylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 3232845) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is phenyl 2-(phenylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Namephenyl 2-(phenylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID3232845
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Namephenyl 2-(phenylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESO=C(Nc1ccccc1)N1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1
InChIInChI=1S/C23H27N3O3/c27-21(24-19-8-3-1-4-9-19)26-15-7-12-23(18-26)13-16-25(17-14-23)22(28)29-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2,(H,24,27)
InChIKeyBERISRQFWNFRGX-UHFFFAOYSA-N
XLogP4.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-(phenylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of phenyl 2-(phenylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 3232845) is phenyl 2-(phenylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for phenyl 2-(phenylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for phenyl 2-(phenylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate is O=C(Nc1ccccc1)N1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1.
What is the InChIKey of phenyl 2-(phenylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is BERISRQFWNFRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-21(24-19-8-3-1-4-9-19)26-15-7-12-23(18-26)13-16-25(17-14-23)22(28)29-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2,(H,24,27).
What are the key properties of phenyl 2-(phenylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate?
phenyl 2-(phenylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 393.49 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(phenylcarbamoyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 3232845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).