N-(4-trimethylsilylphenyl)adamantane-1-carboxamide

C20H29NOSi — CID 171577278

IUPACN-(4-trimethylsilylphenyl)adamantane-1-carboxamide
SMILESC[Si](C)(C)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H29NOSi/c1-23(2,3)18-6-4-17(5-7-18)21-19(22)20-11-14-8-15(12-20)10-16(9-14)13-20/h4-7,14-16H,8-13H2,1-3H3,(H,21,22)
InChIKeyNRMTVOLKEGSNCP-UHFFFAOYSA-N
MW327.54 g/mol
LogP4.39
Rot. Bonds3

About N-(4-trimethylsilylphenyl)adamantane-1-carboxamide

N-(4-trimethylsilylphenyl)adamantane-1-carboxamide (PubChem CID 171577278) has the molecular formula C20H29NOSi and a molecular weight of 327.54 g/mol. Its IUPAC name is N-(4-trimethylsilylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-trimethylsilylphenyl)adamantane-1-carboxamide
PubChem CID171577278
Molecular FormulaC20H29NOSi
Molecular Weight327.54 g/mol
Exact Mass327.20
IUPAC NameN-(4-trimethylsilylphenyl)adamantane-1-carboxamide
SMILESC[Si](C)(C)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H29NOSi/c1-23(2,3)18-6-4-17(5-7-18)21-19(22)20-11-14-8-15(12-20)10-16(9-14)13-20/h4-7,14-16H,8-13H2,1-3H3,(H,21,22)
InChIKeyNRMTVOLKEGSNCP-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-formamidophenyl)adamantane-1-carboxamide
CID 168653489
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 762997
N-(4-formylphenyl)adamantane-1-carboxamide
CID 106912217
N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide
CID 54787349
4-[[(3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]amino]benzoic acid
CID 6990096
N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide
CID 5034381
N-(2,3-dihydro-1,4-benzodioxin-6-yl)adamantane-1-carboxamide
CID 2862065
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide
CID 122297677
N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide
CID 54787422
N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 4231601
N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 3152021

Frequently Asked Questions

What is the IUPAC name of N-(4-trimethylsilylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(4-trimethylsilylphenyl)adamantane-1-carboxamide (CID 171577278) is N-(4-trimethylsilylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-trimethylsilylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-trimethylsilylphenyl)adamantane-1-carboxamide is C[Si](C)(C)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(4-trimethylsilylphenyl)adamantane-1-carboxamide?
The InChIKey is NRMTVOLKEGSNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NOSi/c1-23(2,3)18-6-4-17(5-7-18)21-19(22)20-11-14-8-15(12-20)10-16(9-14)13-20/h4-7,14-16H,8-13H2,1-3H3,(H,21,22).
What are the key properties of N-(4-trimethylsilylphenyl)adamantane-1-carboxamide?
N-(4-trimethylsilylphenyl)adamantane-1-carboxamide has a molecular weight of 327.54 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-trimethylsilylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 171577278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).