4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one

C29H41NO4Si — CID 134936672

IUPAC4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one
SMILESCOc1ccc(CN2C(=O)C(C(C)O[Si](C(C)C)(C(C)C)C(C)C)C2C(=O)c2ccccc2)cc1
InChIInChI=1S/C29H41NO4Si/c1-19(2)35(20(3)4,21(5)6)34-22(7)26-27(28(31)24-12-10-9-11-13-24)30(29(26)32)18-23-14-16-25(33-8)17-15-23/h9-17,19-22,26-27H,18H2,1-8H3
InChIKeyFQQGEXCQNAQPSO-UHFFFAOYSA-N
MW495.74 g/mol
LogP6.49
Rot. Bonds11

About 4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one

4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one (PubChem CID 134936672) has the molecular formula C29H41NO4Si and a molecular weight of 495.74 g/mol. Its IUPAC name is 4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one.

Molecular Properties

Compound Name4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one
PubChem CID134936672
Molecular FormulaC29H41NO4Si
Molecular Weight495.74 g/mol
Exact Mass495.28
IUPAC Name4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one
SMILESCOc1ccc(CN2C(=O)C(C(C)O[Si](C(C)C)(C(C)C)C(C)C)C2C(=O)c2ccccc2)cc1
InChIInChI=1S/C29H41NO4Si/c1-19(2)35(20(3)4,21(5)6)34-22(7)26-27(28(31)24-12-10-9-11-13-24)30(29(26)32)18-23-14-16-25(33-8)17-15-23/h9-17,19-22,26-27H,18H2,1-8H3
InChIKeyFQQGEXCQNAQPSO-UHFFFAOYSA-N
XLogP6.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.74
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-4-benzoyl-3-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 14084672
tert-butyl (2R,3S)-3-[(1R)-1-hydroxyethyl]-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylate
CID 13471482
3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid
CID 102569921
3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione
CID 15149331
(3R,4S,5R)-1-benzyl-3,4-dihydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 10881978
[5-benzoyloxy-9,11-bis[(4-methoxyphenyl)methyl]-10,12-dioxo-9,11-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-4-yl] benzoate
CID 23257079
4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108599325
(4-methoxyphenyl)-[(2R,3R)-1-methyl-3-phenylaziridin-2-yl]methanone
CID 6562474
(1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 102116155
(3R,4S)-4-benzoyl-1-benzyl-3-[methoxy-(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 102080275
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 96663913
2-[(2R,3R)-2-benzoyl-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]acetic acid
CID 67698706

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one?
The IUPAC name of 4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one (CID 134936672) is 4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one.
What is the SMILES notation for 4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one?
The canonical SMILES for 4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one is COc1ccc(CN2C(=O)C(C(C)O[Si](C(C)C)(C(C)C)C(C)C)C2C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one?
The InChIKey is FQQGEXCQNAQPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO4Si/c1-19(2)35(20(3)4,21(5)6)34-22(7)26-27(28(31)24-12-10-9-11-13-24)30(29(26)32)18-23-14-16-25(33-8)17-15-23/h9-17,19-22,26-27H,18H2,1-8H3.
What are the key properties of 4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one?
4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one has a molecular weight of 495.74 g/mol, XLogP of 6.49, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-1-[(4-methoxyphenyl)methyl]-3-[1-tri(propan-2-yl)silyloxyethyl]azetidin-2-one is sourced from PubChem (CID 134936672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).