3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one

C22H31NOSi — CID 22089573

IUPAC3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one
SMILESCC(=O)C(N)Cc1ccc([Si](C)(C)CCCc2ccc(C)cc2)cc1
InChIInChI=1S/C22H31NOSi/c1-17-7-9-19(10-8-17)6-5-15-25(3,4)21-13-11-20(12-14-21)16-22(23)18(2)24/h7-14,22H,5-6,15-16,23H2,1-4H3
InChIKeyVPBSIEDGACHNHD-UHFFFAOYSA-N
MW353.58 g/mol
LogP4.00
Rot. Bonds8

About 3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one

3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one (PubChem CID 22089573) has the molecular formula C22H31NOSi and a molecular weight of 353.58 g/mol. Its IUPAC name is 3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one.

Molecular Properties

Compound Name3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one
PubChem CID22089573
Molecular FormulaC22H31NOSi
Molecular Weight353.58 g/mol
Exact Mass353.22
IUPAC Name3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one
SMILESCC(=O)C(N)Cc1ccc([Si](C)(C)CCCc2ccc(C)cc2)cc1
InChIInChI=1S/C22H31NOSi/c1-17-7-9-19(10-8-17)6-5-15-25(3,4)21-13-11-20(12-14-21)16-22(23)18(2)24/h7-14,22H,5-6,15-16,23H2,1-4H3
InChIKeyVPBSIEDGACHNHD-UHFFFAOYSA-N
XLogP4.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-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

2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide
CID 160538956
N-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine
CID 22089622
2-amino-3-(4-methylphenyl)propanamide
CID 18981163
2-amino-3-[4-(3-oxobutyl)phenyl]propanoic acid
CID 59658427
(2R)-2-amino-7-(4-methylphenyl)heptanoic acid
CID 155670069
2-amino-3-(4-heptylphenyl)propanoic acid
CID 170879327
3-methyl-1-(4-methylphenyl)but-3-en-2-amine
CID 79190743
2-amino-3-[4-(4-hydroxy-5-oxohexyl)phenyl]propanoic acid
CID 166744676
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
ethyl 2-amino-3-[4-(4-butylphenyl)phenyl]propanoate
CID 170885040
methane;5-(4-methylphenyl)pentan-2-one
CID 159376155

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one?
The IUPAC name of 3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one (CID 22089573) is 3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one.
What is the SMILES notation for 3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one?
The canonical SMILES for 3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one is CC(=O)C(N)Cc1ccc([Si](C)(C)CCCc2ccc(C)cc2)cc1.
What is the InChIKey of 3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one?
The InChIKey is VPBSIEDGACHNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NOSi/c1-17-7-9-19(10-8-17)6-5-15-25(3,4)21-13-11-20(12-14-21)16-22(23)18(2)24/h7-14,22H,5-6,15-16,23H2,1-4H3.
What are the key properties of 3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one?
3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one has a molecular weight of 353.58 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one is sourced from PubChem (CID 22089573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).