phenyl (5S)-2-(phenylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate

C22H25N3O3 — CID 3233099

IUPACphenyl (5S)-2-(phenylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESO=C(Nc1ccccc1)N1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1
InChIInChI=1S/C22H25N3O3/c26-20(23-18-8-3-1-4-9-18)24-15-13-22(16-24)12-7-14-25(17-22)21(27)28-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2,(H,23,26)/t22-/m0/s1
InChIKeyBAUMIJPDLHGZMJ-QFIPXVFZSA-N
MW379.46 g/mol
LogP4.21
Rot. Bonds2

About phenyl (5S)-2-(phenylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate

phenyl (5S)-2-(phenylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 3233099) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is phenyl (5S)-2-(phenylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namephenyl (5S)-2-(phenylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID3233099
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Namephenyl (5S)-2-(phenylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESO=C(Nc1ccccc1)N1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1
InChIInChI=1S/C22H25N3O3/c26-20(23-18-8-3-1-4-9-18)24-15-13-22(16-24)12-7-14-25(17-22)21(27)28-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2,(H,23,26)/t22-/m0/s1
InChIKeyBAUMIJPDLHGZMJ-QFIPXVFZSA-N
XLogP4.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl (5S)-2-(phenylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of phenyl (5S)-2-(phenylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 3233099) is phenyl (5S)-2-(phenylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for phenyl (5S)-2-(phenylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for phenyl (5S)-2-(phenylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate is O=C(Nc1ccccc1)N1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1.
What is the InChIKey of phenyl (5S)-2-(phenylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is BAUMIJPDLHGZMJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-20(23-18-8-3-1-4-9-18)24-15-13-22(16-24)12-7-14-25(17-22)21(27)28-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2,(H,23,26)/t22-/m0/s1.
What are the key properties of phenyl (5S)-2-(phenylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
phenyl (5S)-2-(phenylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (5S)-2-(phenylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 3233099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).