1-(4-methoxyphenyl)-2-(2-methoxy-N-trimethylsilyloxyanilino)-2-phenylethanone

C25H29NO4Si — CID 101442494

IUPAC1-(4-methoxyphenyl)-2-(2-methoxy-N-trimethylsilyloxyanilino)-2-phenylethanone
SMILESCOc1ccc(C(=O)C(c2ccccc2)N(O[Si](C)(C)C)c2ccccc2OC)cc1
InChIInChI=1S/C25H29NO4Si/c1-28-21-17-15-20(16-18-21)25(27)24(19-11-7-6-8-12-19)26(30-31(3,4)5)22-13-9-10-14-23(22)29-2/h6-18,24H,1-5H3
InChIKeyBLDQFOSLGZCUQI-UHFFFAOYSA-N
MW435.60 g/mol
LogP5.90
Rot. Bonds9

About 1-(4-methoxyphenyl)-2-(2-methoxy-N-trimethylsilyloxyanilino)-2-phenylethanone

1-(4-methoxyphenyl)-2-(2-methoxy-N-trimethylsilyloxyanilino)-2-phenylethanone (PubChem CID 101442494) has the molecular formula C25H29NO4Si and a molecular weight of 435.60 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(2-methoxy-N-trimethylsilyloxyanilino)-2-phenylethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(2-methoxy-N-trimethylsilyloxyanilino)-2-phenylethanone
PubChem CID101442494
Molecular FormulaC25H29NO4Si
Molecular Weight435.60 g/mol
Exact Mass435.19
IUPAC Name1-(4-methoxyphenyl)-2-(2-methoxy-N-trimethylsilyloxyanilino)-2-phenylethanone
SMILESCOc1ccc(C(=O)C(c2ccccc2)N(O[Si](C)(C)C)c2ccccc2OC)cc1
InChIInChI=1S/C25H29NO4Si/c1-28-21-17-15-20(16-18-21)25(27)24(19-11-7-6-8-12-19)26(30-31(3,4)5)22-13-9-10-14-23(22)29-2/h6-18,24H,1-5H3
InChIKeyBLDQFOSLGZCUQI-UHFFFAOYSA-N
XLogP5.90
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.60
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
CID 14644560
2-[2-(2-iodophenyl)ethyl-methylamino]-1-(4-methoxyphenyl)-2-phenylethanone
CID 101417674
2-isocyano-1-(4-methoxyphenyl)-2-phenylethanone
CID 140853508
2-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylbutane-1,4-dione
CID 122221336
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156
(2R,3S)-2-bromo-3-hydroxy-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 102368188
3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one
CID 54202264
(2S)-3-(4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 682096
(2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one
CID 10635675
2-benzhydrylimino-1-(4-methoxyphenyl)ethanone
CID 139818833
(2S)-2-amino-N-(2-methoxyphenyl)-N-methyl-2-phenylacetamide
CID 104897769

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(2-methoxy-N-trimethylsilyloxyanilino)-2-phenylethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(2-methoxy-N-trimethylsilyloxyanilino)-2-phenylethanone (CID 101442494) is 1-(4-methoxyphenyl)-2-(2-methoxy-N-trimethylsilyloxyanilino)-2-phenylethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(2-methoxy-N-trimethylsilyloxyanilino)-2-phenylethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(2-methoxy-N-trimethylsilyloxyanilino)-2-phenylethanone is COc1ccc(C(=O)C(c2ccccc2)N(O[Si](C)(C)C)c2ccccc2OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(2-methoxy-N-trimethylsilyloxyanilino)-2-phenylethanone?
The InChIKey is BLDQFOSLGZCUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4Si/c1-28-21-17-15-20(16-18-21)25(27)24(19-11-7-6-8-12-19)26(30-31(3,4)5)22-13-9-10-14-23(22)29-2/h6-18,24H,1-5H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(2-methoxy-N-trimethylsilyloxyanilino)-2-phenylethanone?
1-(4-methoxyphenyl)-2-(2-methoxy-N-trimethylsilyloxyanilino)-2-phenylethanone has a molecular weight of 435.60 g/mol, XLogP of 5.90, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(2-methoxy-N-trimethylsilyloxyanilino)-2-phenylethanone is sourced from PubChem (CID 101442494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).