3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide

C42H61NO4Si2 — CID 11664791

IUPAC3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide
SMILESCCC1=C(c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)C(C(=O)Nc2ccc(O)cc2)c2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc21
InChIInChI=1S/C42H61NO4Si2/c1-14-37-38-24-23-36(47-49(29(8)9,30(10)11)31(12)13)25-39(38)41(42(45)43-33-17-19-34(44)20-18-33)40(37)32-15-21-35(22-16-32)46-48(26(2)3,27(4)5)28(6)7/h15-31,41,44H,14H2,1-13H3,(H,43,45)
InChIKeyGMDUEXUYYRARQC-UHFFFAOYSA-N
MW700.13 g/mol
LogP12.56
Rot. Bonds14

About 3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide

3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide (PubChem CID 11664791) has the molecular formula C42H61NO4Si2 and a molecular weight of 700.13 g/mol. Its IUPAC name is 3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide
PubChem CID11664791
Molecular FormulaC42H61NO4Si2
Molecular Weight700.13 g/mol
Exact Mass699.41
IUPAC Name3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide
SMILESCCC1=C(c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)C(C(=O)Nc2ccc(O)cc2)c2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc21
InChIInChI=1S/C42H61NO4Si2/c1-14-37-38-24-23-36(47-49(29(8)9,30(10)11)31(12)13)25-39(38)41(42(45)43-33-17-19-34(44)20-18-33)40(37)32-15-21-35(22-16-32)46-48(26(2)3,27(4)5)28(6)7/h15-31,41,44H,14H2,1-13H3,(H,43,45)
InChIKeyGMDUEXUYYRARQC-UHFFFAOYSA-N
XLogP12.56
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.13
LogP ≤ 512.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide 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

[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone
CID 18676038
N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200
octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 54463320
N-(4-hydroxyphenyl)-N'-(4-octadecoxyphenyl)propanediamide
CID 18983779
N'-[4-(4-hydroxyphenoxy)phenyl]-N-(2-octadecan-2-yloxyethyl)propanediamide
CID 21260071
2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol
CID 131736006
methyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate
CID 11396381
N-(4-hydroxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476911
[5-[(4-hydroxyphenyl)carbamoyloxy]-3-methylpentyl] N-(4-hydroxyphenyl)carbamate
CID 70350686
3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol
CID 165050985
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide?
The IUPAC name of 3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide (CID 11664791) is 3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide?
The canonical SMILES for 3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide is CCC1=C(c2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)C(C(=O)Nc2ccc(O)cc2)c2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc21.
What is the InChIKey of 3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide?
The InChIKey is GMDUEXUYYRARQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H61NO4Si2/c1-14-37-38-24-23-36(47-49(29(8)9,30(10)11)31(12)13)25-39(38)41(42(45)43-33-17-19-34(44)20-18-33)40(37)32-15-21-35(22-16-32)46-48(26(2)3,27(4)5)28(6)7/h15-31,41,44H,14H2,1-13H3,(H,43,45).
What are the key properties of 3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide?
3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide has a molecular weight of 700.13 g/mol, XLogP of 12.56, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(4-hydroxyphenyl)-6-tri(propan-2-yl)silyloxy-2-[4-tri(propan-2-yl)silyloxyphenyl]-1H-indene-1-carboxamide is sourced from PubChem (CID 11664791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).