6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one

C29H39NO5 — CID 91065967

IUPAC6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one
SMILESCC(c1ccc(C2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O
InChIInChI=1S/C29H39NO5/c1-20(21-13-15-22(16-14-21)24-33-27(4,5)28(6,7)34-24)30-18-17-29(35-25(30)31,19-26(2,3)32)23-11-9-8-10-12-23/h8-16,20,24,32H,17-19H2,1-7H3
InChIKeyXYGGDPDEUVZSNX-UHFFFAOYSA-N
MW481.63 g/mol
LogP6.25
Rot. Bonds6

About 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one

6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one (PubChem CID 91065967) has the molecular formula C29H39NO5 and a molecular weight of 481.63 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one
PubChem CID91065967
Molecular FormulaC29H39NO5
Molecular Weight481.63 g/mol
Exact Mass481.28
IUPAC Name6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one
SMILESCC(c1ccc(C2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O
InChIInChI=1S/C29H39NO5/c1-20(21-13-15-22(16-14-21)24-33-27(4,5)28(6,7)34-24)30-18-17-29(35-25(30)31,19-26(2,3)32)23-11-9-8-10-12-23/h8-16,20,24,32H,17-19H2,1-7H3
InChIKeyXYGGDPDEUVZSNX-UHFFFAOYSA-N
XLogP6.25
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.63
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one 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

3-[(1S)-1-(4-ethynylphenyl)ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
CID 87184778
6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one
CID 91082267
6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 66600626
6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 67019752
3-[1-[4-(1-acetylpiperidin-4-yl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
CID 75090105
6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxopiperidin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 67503255
4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide
CID 75090109
6-(2-hydroxy-2-methylpropyl)-3-[1-[4-(3-hydroxy-2,2,3-trimethylbutyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 91342326
6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 66601031
tert-butyl 4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]piperidine-1-carboxylate
CID 91411841
6-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazine-3-carboxylic acid
CID 67446432
6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(1-methylpyrrolidine-2-carbonyl)piperidin-4-yl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 70927635

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one (CID 91065967) is 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one is CC(c1ccc(C2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O.
What is the InChIKey of 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one?
The InChIKey is XYGGDPDEUVZSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39NO5/c1-20(21-13-15-22(16-14-21)24-33-27(4,5)28(6,7)34-24)30-18-17-29(35-25(30)31,19-26(2,3)32)23-11-9-8-10-12-23/h8-16,20,24,32H,17-19H2,1-7H3.
What are the key properties of 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one?
6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one has a molecular weight of 481.63 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 91065967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).