ethyl (4S)-2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate

C20H28N2O3 — CID 97120203

IUPACethyl (4S)-2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(CC)C2
InChIInChI=1S/C20H28N2O3/c1-3-21-15-20(10-12-22(13-11-20)19(24)25-4-2)14-17(18(21)23)16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3/t17-/m0/s1
InChIKeyJBWZZDJWCZPRGV-KRWDZBQOSA-N
MW344.45 g/mol
LogP3.26
Rot. Bonds3

About ethyl (4S)-2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate

ethyl (4S)-2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 97120203) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is ethyl (4S)-2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID97120203
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Nameethyl (4S)-2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(CC)C2
InChIInChI=1S/C20H28N2O3/c1-3-21-15-20(10-12-22(13-11-20)19(24)25-4-2)14-17(18(21)23)16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3/t17-/m0/s1
InChIKeyJBWZZDJWCZPRGV-KRWDZBQOSA-N
XLogP3.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of ethyl (4S)-2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate (CID 97120203) is ethyl (4S)-2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for ethyl (4S)-2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for ethyl (4S)-2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate is CCOC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(CC)C2.
What is the InChIKey of ethyl (4S)-2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is JBWZZDJWCZPRGV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-3-21-15-20(10-12-22(13-11-20)19(24)25-4-2)14-17(18(21)23)16-8-6-5-7-9-16/h5-9,17H,3-4,10-15H2,1-2H3/t17-/m0/s1.
What are the key properties of ethyl (4S)-2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate?
ethyl (4S)-2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 344.45 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 97120203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).