N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide

C29H35NO3Si — CID 102154876

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)CCc2ccccc2)c(C(=O)Cc2ccccc2)c1
InChIInChI=1S/C29H35NO3Si/c1-29(2,3)34(4,5)33-24-17-18-26(30-28(32)19-16-22-12-8-6-9-13-22)25(21-24)27(31)20-23-14-10-7-11-15-23/h6-15,17-18,21H,16,19-20H2,1-5H3,(H,30,32)
InChIKeyJTSHXBHEFUCQQU-UHFFFAOYSA-N
MW473.69 g/mol
LogP7.07
Rot. Bonds9

About N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide

N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide (PubChem CID 102154876) has the molecular formula C29H35NO3Si and a molecular weight of 473.69 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide
PubChem CID102154876
Molecular FormulaC29H35NO3Si
Molecular Weight473.69 g/mol
Exact Mass473.24
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)CCc2ccccc2)c(C(=O)Cc2ccccc2)c1
InChIInChI=1S/C29H35NO3Si/c1-29(2,3)34(4,5)33-24-17-18-26(30-28(32)19-16-22-12-8-6-9-13-22)25(21-24)27(31)20-23-14-10-7-11-15-23/h6-15,17-18,21H,16,19-20H2,1-5H3,(H,30,32)
InChIKeyJTSHXBHEFUCQQU-UHFFFAOYSA-N
XLogP7.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.69
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide 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-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate
CID 102575732
N-[4-[tert-butyl(dimethyl)silyl]oxy-2-dodecanoylphenyl]-2-chlorobenzamide
CID 102154880
2-bromo-N-[4-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]acetamide
CID 90291132
methyl 5-chloro-2-(3-phenylpropanoylamino)benzoate
CID 171988189
[4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid
CID 87591455
N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide
CID 59836533
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
5-chloro-2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid
CID 141008038
[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone
CID 91744472
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid
CID 60826360

Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide (CID 102154876) is N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide is CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)CCc2ccccc2)c(C(=O)Cc2ccccc2)c1.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide?
The InChIKey is JTSHXBHEFUCQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO3Si/c1-29(2,3)34(4,5)33-24-17-18-26(30-28(32)19-16-22-12-8-6-9-13-22)25(21-24)27(31)20-23-14-10-7-11-15-23/h6-15,17-18,21H,16,19-20H2,1-5H3,(H,30,32).
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide?
N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide has a molecular weight of 473.69 g/mol, XLogP of 7.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(2-phenylacetyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 102154876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).