2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide

C26H33NO3Si — CID 102459740

IUPAC2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
SMILESCc1cc(C)c([Si](O)(O)c2ccc3ccccc3c2C(=O)N(C(C)C)C(C)C)c(C)c1
InChIInChI=1S/C26H33NO3Si/c1-16(2)27(17(3)4)26(28)24-22-11-9-8-10-21(22)12-13-23(24)31(29,30)25-19(6)14-18(5)15-20(25)7/h8-17,29-30H,1-7H3
InChIKeyKRPIYBIDAYHCIN-UHFFFAOYSA-N
MW435.64 g/mol
LogP3.57
Rot. Bonds5

About 2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide

2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide (PubChem CID 102459740) has the molecular formula C26H33NO3Si and a molecular weight of 435.64 g/mol. Its IUPAC name is 2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
PubChem CID102459740
Molecular FormulaC26H33NO3Si
Molecular Weight435.64 g/mol
Exact Mass435.22
IUPAC Name2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
SMILESCc1cc(C)c([Si](O)(O)c2ccc3ccccc3c2C(=O)N(C(C)C)C(C)C)c(C)c1
InChIInChI=1S/C26H33NO3Si/c1-16(2)27(17(3)4)26(28)24-22-11-9-8-10-21(22)12-13-23(24)31(29,30)25-19(6)14-18(5)15-20(25)7/h8-17,29-30H,1-7H3
InChIKeyKRPIYBIDAYHCIN-UHFFFAOYSA-N
XLogP3.57
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.64
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-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

Frequently Asked Questions

What is the IUPAC name of 2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
The IUPAC name of 2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide (CID 102459740) is 2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for 2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide is Cc1cc(C)c([Si](O)(O)c2ccc3ccccc3c2C(=O)N(C(C)C)C(C)C)c(C)c1.
What is the InChIKey of 2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
The InChIKey is KRPIYBIDAYHCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO3Si/c1-16(2)27(17(3)4)26(28)24-22-11-9-8-10-21(22)12-13-23(24)31(29,30)25-19(6)14-18(5)15-20(25)7/h8-17,29-30H,1-7H3.
What are the key properties of 2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide has a molecular weight of 435.64 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dihydroxy-(2,4,6-trimethylphenyl)silyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 102459740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).