(5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

C18H30N2O4 — CID 99717500

IUPAC(5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC1CCC(O)(CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)CC1
InChIInChI=1S/C18H30N2O4/c1-12-6-8-17(23,9-7-12)11-20-13(21)18(19-14(20)22)10-15(2,3)24-16(18,4)5/h12,23H,6-11H2,1-5H3,(H,19,22)/t12?,17?,18-/m0/s1
InChIKeyGMROTMXFRBFGED-WQHGFJKVSA-N
MW338.45 g/mol
LogP2.20
Rot. Bonds2

About (5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

(5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 99717500) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is (5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID99717500
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name(5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC1CCC(O)(CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)CC1
InChIInChI=1S/C18H30N2O4/c1-12-6-8-17(23,9-7-12)11-20-13(21)18(19-14(20)22)10-15(2,3)24-16(18,4)5/h12,23H,6-11H2,1-5H3,(H,19,22)/t12?,17?,18-/m0/s1
InChIKeyGMROTMXFRBFGED-WQHGFJKVSA-N
XLogP2.20
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 99717500) is (5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is CC1CCC(O)(CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)CC1.
What is the InChIKey of (5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is GMROTMXFRBFGED-WQHGFJKVSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-12-6-8-17(23,9-7-12)11-20-13(21)18(19-14(20)22)10-15(2,3)24-16(18,4)5/h12,23H,6-11H2,1-5H3,(H,19,22)/t12?,17?,18-/m0/s1.
What are the key properties of (5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 338.45 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 99717500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).