4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide

C26H44N2O2Si2 — CID 171577071

IUPAC4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
SMILESC[Si](C)(C)C1CCC(C(=O)Nc2ccccc2NC(=O)C2CCC([Si](C)(C)C)CC2)CC1
InChIInChI=1S/C26H44N2O2Si2/c1-31(2,3)21-15-11-19(12-16-21)25(29)27-23-9-7-8-10-24(23)28-26(30)20-13-17-22(18-14-20)32(4,5)6/h7-10,19-22H,11-18H2,1-6H3,(H,27,29)(H,28,30)
InChIKeyYORLWAZAVULGDO-UHFFFAOYSA-N
MW472.82 g/mol
LogP7.36
Rot. Bonds6

About 4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide

4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide (PubChem CID 171577071) has the molecular formula C26H44N2O2Si2 and a molecular weight of 472.82 g/mol. Its IUPAC name is 4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
PubChem CID171577071
Molecular FormulaC26H44N2O2Si2
Molecular Weight472.82 g/mol
Exact Mass472.29
IUPAC Name4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
SMILESC[Si](C)(C)C1CCC(C(=O)Nc2ccccc2NC(=O)C2CCC([Si](C)(C)C)CC2)CC1
InChIInChI=1S/C26H44N2O2Si2/c1-31(2,3)21-15-11-19(12-16-21)25(29)27-23-9-7-8-10-24(23)28-26(30)20-13-17-22(18-14-20)32(4,5)6/h7-10,19-22H,11-18H2,1-6H3,(H,27,29)(H,28,30)
InChIKeyYORLWAZAVULGDO-UHFFFAOYSA-N
XLogP7.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.82
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 837694
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CID 174928613
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
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CID 9497565
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
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CID 113093430
N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide
CID 46761195
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
1-[2-(cyclohexanecarbonylamino)anilino]ethylidene-dimethylazanium
CID 21440518

Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide (CID 171577071) is 4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide is C[Si](C)(C)C1CCC(C(=O)Nc2ccccc2NC(=O)C2CCC([Si](C)(C)C)CC2)CC1.
What is the InChIKey of 4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide?
The InChIKey is YORLWAZAVULGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O2Si2/c1-31(2,3)21-15-11-19(12-16-21)25(29)27-23-9-7-8-10-24(23)28-26(30)20-13-17-22(18-14-20)32(4,5)6/h7-10,19-22H,11-18H2,1-6H3,(H,27,29)(H,28,30).
What are the key properties of 4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide?
4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide has a molecular weight of 472.82 g/mol, XLogP of 7.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 171577071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).