N-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide

C32H60N2O2Si4 — CID 171577210

IUPACN-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide
SMILESC[Si](C)(C)C1CC(C(=O)Nc2ccc(NC(=O)C3CC([Si](C)(C)C)CC([Si](C)(C)C)C3)cc2)CC([Si](C)(C)C)C1
InChIInChI=1S/C32H60N2O2Si4/c1-37(2,3)27-17-23(18-28(21-27)38(4,5)6)31(35)33-25-13-15-26(16-14-25)34-32(36)24-19-29(39(7,8)9)22-30(20-24)40(10,11)12/h13-16,23-24,27-30H,17-22H2,1-12H3,(H,33,35)(H,34,36)
InChIKeyCKPFOCLTVCAJDH-UHFFFAOYSA-N
MW617.19 g/mol
LogP10.00
Rot. Bonds8

About N-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide

N-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide (PubChem CID 171577210) has the molecular formula C32H60N2O2Si4 and a molecular weight of 617.19 g/mol. Its IUPAC name is N-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide
PubChem CID171577210
Molecular FormulaC32H60N2O2Si4
Molecular Weight617.19 g/mol
Exact Mass616.37
IUPAC NameN-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide
SMILESC[Si](C)(C)C1CC(C(=O)Nc2ccc(NC(=O)C3CC([Si](C)(C)C)CC([Si](C)(C)C)C3)cc2)CC([Si](C)(C)C)C1
InChIInChI=1S/C32H60N2O2Si4/c1-37(2,3)27-17-23(18-28(21-27)38(4,5)6)31(35)33-25-13-15-26(16-14-25)34-32(36)24-19-29(39(7,8)9)22-30(20-24)40(10,11)12/h13-16,23-24,27-30H,17-22H2,1-12H3,(H,33,35)(H,34,36)
InChIKeyCKPFOCLTVCAJDH-UHFFFAOYSA-N
XLogP10.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.19
LogP ≤ 510.00
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

3-methyl-N-phenylcyclobutane-1-carboxamide
CID 121011883
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
4-trimethylsilyl-N-[2-[(4-trimethylsilylcyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577071
N-[4-[(3-methylcyclobutyl)amino]phenyl]cyclopropanecarboxamide
CID 104860025
(1R,5R)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 802951
(1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 802950
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
CID 110778678
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
cis-(3R,5S)-3,5-ditert-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 689344
9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 2997747

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide (CID 171577210) is N-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide is C[Si](C)(C)C1CC(C(=O)Nc2ccc(NC(=O)C3CC([Si](C)(C)C)CC([Si](C)(C)C)C3)cc2)CC([Si](C)(C)C)C1.
What is the InChIKey of N-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide?
The InChIKey is CKPFOCLTVCAJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N2O2Si4/c1-37(2,3)27-17-23(18-28(21-27)38(4,5)6)31(35)33-25-13-15-26(16-14-25)34-32(36)24-19-29(39(7,8)9)22-30(20-24)40(10,11)12/h13-16,23-24,27-30H,17-22H2,1-12H3,(H,33,35)(H,34,36).
What are the key properties of N-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide?
N-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide has a molecular weight of 617.19 g/mol, XLogP of 10.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 171577210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).