N-[3-[1-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide

C31H35N3O2Si — CID 69371792

IUPACN-[3-[1-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide
SMILESC=C(c1cccc(NC(C)=O)c1)c1ccc2c(C=Cc3ccccc3)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C31H35N3O2Si/c1-23(26-12-9-13-28(20-26)32-24(2)35)27-15-16-29-30(17-14-25-10-7-6-8-11-25)33-34(31(29)21-27)22-36-18-19-37(3,4)5/h6-17,20-21H,1,18-19,22H2,2-5H3,(H,32,35)
InChIKeyVRMTUIAVJVEIBK-UHFFFAOYSA-N
MW509.73 g/mol
LogP7.54
Rot. Bonds10

About N-[3-[1-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide

N-[3-[1-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide (PubChem CID 69371792) has the molecular formula C31H35N3O2Si and a molecular weight of 509.73 g/mol. Its IUPAC name is N-[3-[1-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide
PubChem CID69371792
Molecular FormulaC31H35N3O2Si
Molecular Weight509.73 g/mol
Exact Mass509.25
IUPAC NameN-[3-[1-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide
SMILESC=C(c1cccc(NC(C)=O)c1)c1ccc2c(C=Cc3ccccc3)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C31H35N3O2Si/c1-23(26-12-9-13-28(20-26)32-24(2)35)27-15-16-29-30(17-14-25-10-7-6-8-11-25)33-34(31(29)21-27)22-36-18-19-37(3,4)5/h6-17,20-21H,1,18-19,22H2,2-5H3,(H,32,35)
InChIKeyVRMTUIAVJVEIBK-UHFFFAOYSA-N
XLogP7.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.73
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide (CID 69371792) is N-[3-[1-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide is C=C(c1cccc(NC(C)=O)c1)c1ccc2c(C=Cc3ccccc3)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of N-[3-[1-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide?
The InChIKey is VRMTUIAVJVEIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O2Si/c1-23(26-12-9-13-28(20-26)32-24(2)35)27-15-16-29-30(17-14-25-10-7-6-8-11-25)33-34(31(29)21-27)22-36-18-19-37(3,4)5/h6-17,20-21H,1,18-19,22H2,2-5H3,(H,32,35).
What are the key properties of N-[3-[1-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide?
N-[3-[1-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide has a molecular weight of 509.73 g/mol, XLogP of 7.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-(2-phenylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]ethenyl]phenyl]acetamide is sourced from PubChem (CID 69371792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).