N-[3-[diethoxy(hydroxy)silyl]propyl]-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxamide

C22H35NO7Si — CID 59289873

IUPACN-[3-[diethoxy(hydroxy)silyl]propyl]-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxamide
SMILESCCO[Si](O)(CCCNC(=O)C1CCCCC1(O)C(=O)c1ccc(OC)cc1)OCC
InChIInChI=1S/C22H35NO7Si/c1-4-29-31(27,30-5-2)16-8-15-23-21(25)19-9-6-7-14-22(19,26)20(24)17-10-12-18(28-3)13-11-17/h10-13,19,26-27H,4-9,14-16H2,1-3H3,(H,23,25)
InChIKeyROVSXMRXOREJJF-UHFFFAOYSA-N
MW453.61 g/mol
LogP2.31
Rot. Bonds12

About N-[3-[diethoxy(hydroxy)silyl]propyl]-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxamide

N-[3-[diethoxy(hydroxy)silyl]propyl]-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxamide (PubChem CID 59289873) has the molecular formula C22H35NO7Si and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[3-[diethoxy(hydroxy)silyl]propyl]-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[diethoxy(hydroxy)silyl]propyl]-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxamide
PubChem CID59289873
Molecular FormulaC22H35NO7Si
Molecular Weight453.61 g/mol
Exact Mass453.22
IUPAC NameN-[3-[diethoxy(hydroxy)silyl]propyl]-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxamide
SMILESCCO[Si](O)(CCCNC(=O)C1CCCCC1(O)C(=O)c1ccc(OC)cc1)OCC
InChIInChI=1S/C22H35NO7Si/c1-4-29-31(27,30-5-2)16-8-15-23-21(25)19-9-6-7-14-22(19,26)20(24)17-10-12-18(28-3)13-11-17/h10-13,19,26-27H,4-9,14-16H2,1-3H3,(H,23,25)
InChIKeyROVSXMRXOREJJF-UHFFFAOYSA-N
XLogP2.31
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]oxyhexyl 2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxylate
CID 59289826
cis-2-ethoxyethyl (1S,2R)-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxylate
CID 123656110
[4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone
CID 59289855
[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)morpholin-4-ium-4-yl] 2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxylate
CID 87509483
4-[(1S,2R)-2-benzoyl-2-hydroxycyclohexanecarbonyl]oxybutyl 2-benzoyl-2-hydroxycyclohexane-1-carboxylate
CID 68592654
2-[2-[2-[(1S,2R)-2-(3,4-dimethylbenzoyl)-2-hydroxycyclohexanecarbonyl]oxyethoxy]ethoxy]ethyl 2-(3,4-dimethylbenzoyl)-2-hydroxycyclohexane-1-carboxylate
CID 68594977
1-(4-methoxybenzoyl)-N-pentylpiperidine-4-carboxamide
CID 113005591
diethyl 2-[(Z)-1-(4-methoxyphenyl)prop-1-enyl]cyclobutane-1,1-dicarboxylate
CID 101202224
N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 94261270
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
CID 119302828
N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 101014754
2-benzoyl-N-[2-[(2-benzoyl-2-hydroxycyclohexanecarbonyl)-methylamino]ethyl]-2-hydroxy-N-methylcyclohexane-1-carboxamide
CID 59289814

Frequently Asked Questions

What is the IUPAC name of N-[3-[diethoxy(hydroxy)silyl]propyl]-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[3-[diethoxy(hydroxy)silyl]propyl]-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxamide (CID 59289873) is N-[3-[diethoxy(hydroxy)silyl]propyl]-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-[diethoxy(hydroxy)silyl]propyl]-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[3-[diethoxy(hydroxy)silyl]propyl]-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxamide is CCO[Si](O)(CCCNC(=O)C1CCCCC1(O)C(=O)c1ccc(OC)cc1)OCC.
What is the InChIKey of N-[3-[diethoxy(hydroxy)silyl]propyl]-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxamide?
The InChIKey is ROVSXMRXOREJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO7Si/c1-4-29-31(27,30-5-2)16-8-15-23-21(25)19-9-6-7-14-22(19,26)20(24)17-10-12-18(28-3)13-11-17/h10-13,19,26-27H,4-9,14-16H2,1-3H3,(H,23,25).
What are the key properties of N-[3-[diethoxy(hydroxy)silyl]propyl]-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxamide?
N-[3-[diethoxy(hydroxy)silyl]propyl]-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 2.31, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[diethoxy(hydroxy)silyl]propyl]-2-hydroxy-2-(4-methoxybenzoyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 59289873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).