phenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate

C19H26N2O5 — CID 19814376

IUPACphenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)N1C(=O)OC2(CCN(C(=O)Oc3ccccc3)CC2)C1(C)O
InChIInChI=1S/C19H26N2O5/c1-17(2,3)21-16(23)26-19(18(21,4)24)10-12-20(13-11-19)15(22)25-14-8-6-5-7-9-14/h5-9,24H,10-13H2,1-4H3
InChIKeyPJHGDEMPTBDVJG-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.98
Rot. Bonds1

About phenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate

phenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 19814376) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is phenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Namephenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID19814376
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namephenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)N1C(=O)OC2(CCN(C(=O)Oc3ccccc3)CC2)C1(C)O
InChIInChI=1S/C19H26N2O5/c1-17(2,3)21-16(23)26-19(18(21,4)24)10-12-20(13-11-19)15(22)25-14-8-6-5-7-9-14/h5-9,24H,10-13H2,1-4H3
InChIKeyPJHGDEMPTBDVJG-UHFFFAOYSA-N
XLogP2.98
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze phenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl 4-tert-butylpiperazine-1-carboxylate
CID 61068784
phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate
CID 113282998
3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 19814368
phenyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate
CID 95358431
phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295
phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate
CID 95358432
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
phenyl 4-methyl-1,4-diazepane-1-carboxylate
CID 60637805
phenyl 4-(N'-hydroxycarbamimidoyl)-4-methylsulfanylpiperidine-1-carboxylate
CID 77108996
phenyl 4-propylpiperidine-1-carboxylate
CID 64591892
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
phenyl 4-sulfamoylpiperazine-1-carboxylate
CID 61132871

Frequently Asked Questions

What is the IUPAC name of phenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of phenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate (CID 19814376) is phenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for phenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for phenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)N1C(=O)OC2(CCN(C(=O)Oc3ccccc3)CC2)C1(C)O.
What is the InChIKey of phenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is PJHGDEMPTBDVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-17(2,3)21-16(23)26-19(18(21,4)24)10-12-20(13-11-19)15(22)25-14-8-6-5-7-9-14/h5-9,24H,10-13H2,1-4H3.
What are the key properties of phenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate?
phenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 19814376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).