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

C23H27N3O3 — CID 3233757

IUPACphenyl 9-(phenylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESO=C(Nc1ccccc1)N1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2
InChIInChI=1S/C23H27N3O3/c27-21(24-19-7-3-1-4-8-19)25-15-11-23(12-16-25)13-17-26(18-14-23)22(28)29-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,24,27)
InChIKeyADPBKBWSXISJJW-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.60
Rot. Bonds2

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

phenyl 9-(phenylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 3233757) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is phenyl 9-(phenylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Namephenyl 9-(phenylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID3233757
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Namephenyl 9-(phenylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESO=C(Nc1ccccc1)N1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2
InChIInChI=1S/C23H27N3O3/c27-21(24-19-7-3-1-4-8-19)25-15-11-23(12-16-25)13-17-26(18-14-23)22(28)29-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,24,27)
InChIKeyADPBKBWSXISJJW-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 9-(phenylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of phenyl 9-(phenylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 3233757) is phenyl 9-(phenylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for phenyl 9-(phenylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for phenyl 9-(phenylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is O=C(Nc1ccccc1)N1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2.
What is the InChIKey of phenyl 9-(phenylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is ADPBKBWSXISJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-21(24-19-7-3-1-4-8-19)25-15-11-23(12-16-25)13-17-26(18-14-23)22(28)29-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,24,27).
What are the key properties of phenyl 9-(phenylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
phenyl 9-(phenylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-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 9-(phenylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 3233757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).