4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide

C18H24BrNO5Si — CID 90081289

IUPAC4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide
SMILESCOc1cccc(-c2oc(NC(=O)CCCBr)c(O[Si](C)(C)C)c2O)c1
InChIInChI=1S/C18H24BrNO5Si/c1-23-13-8-5-7-12(11-13)16-15(22)17(25-26(2,3)4)18(24-16)20-14(21)9-6-10-19/h5,7-8,11,22H,6,9-10H2,1-4H3,(H,20,21)
InChIKeySCGRRQAVQAPVFR-UHFFFAOYSA-N
MW442.38 g/mol
LogP4.99
Rot. Bonds8

About 4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide

4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide (PubChem CID 90081289) has the molecular formula C18H24BrNO5Si and a molecular weight of 442.38 g/mol. Its IUPAC name is 4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide.

Molecular Properties

Compound Name4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide
PubChem CID90081289
Molecular FormulaC18H24BrNO5Si
Molecular Weight442.38 g/mol
Exact Mass441.06
IUPAC Name4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide
SMILESCOc1cccc(-c2oc(NC(=O)CCCBr)c(O[Si](C)(C)C)c2O)c1
InChIInChI=1S/C18H24BrNO5Si/c1-23-13-8-5-7-12(11-13)16-15(22)17(25-26(2,3)4)18(24-16)20-14(21)9-6-10-19/h5,7-8,11,22H,6,9-10H2,1-4H3,(H,20,21)
InChIKeySCGRRQAVQAPVFR-UHFFFAOYSA-N
XLogP4.99
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.38
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide 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

4-bromo-N-[5-(2,5-dimethoxyphenyl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide
CID 140834121
4-bromo-N-[5-(5-chloro-2-fluorophenyl)-4-hydroxy-3-trimethylsilyloxyfuran-2-yl]butanamide
CID 90081408
[2-(4-bromobutanoylamino)-4-hydroxy-5-phenylfuran-3-yl] acetate
CID 90081678
[2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate
CID 90082253
ethyl N-[3,4-dihydroxy-5-(3-methoxyphenyl)furan-2-yl]carbamate
CID 90081283
N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]hexanediamide
CID 162674603
4-bromo-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 102158832
4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride
CID 155271945
4-bromo-3-(2-bromoethyl)-2-(3-methoxyphenyl)-5-phenylfuran
CID 62705915
N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide
CID 59840445
N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
CID 25029480
4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 25029479

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide?
The IUPAC name of 4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide (CID 90081289) is 4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide.
What is the SMILES notation for 4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide?
The canonical SMILES for 4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide is COc1cccc(-c2oc(NC(=O)CCCBr)c(O[Si](C)(C)C)c2O)c1.
What is the InChIKey of 4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide?
The InChIKey is SCGRRQAVQAPVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO5Si/c1-23-13-8-5-7-12(11-13)16-15(22)17(25-26(2,3)4)18(24-16)20-14(21)9-6-10-19/h5,7-8,11,22H,6,9-10H2,1-4H3,(H,20,21).
What are the key properties of 4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide?
4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide has a molecular weight of 442.38 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide is sourced from PubChem (CID 90081289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).