N-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide

C22H35NO4Si — CID 11625600

IUPACN-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(=O)/C=C/CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO4Si/c1-22(2,3)28(5,6)27-17-13-9-7-8-10-16-20(24)23-21(25)18-14-11-12-15-19(18)26-4/h10-12,14-16H,7-9,13,17H2,1-6H3,(H,23,24,25)/b16-10+
InChIKeyOGWOPLAUCTYXCI-MHWRWJLKSA-N
MW405.61 g/mol
LogP5.09
Rot. Bonds10

About N-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide

N-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide (PubChem CID 11625600) has the molecular formula C22H35NO4Si and a molecular weight of 405.61 g/mol. Its IUPAC name is N-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide
PubChem CID11625600
Molecular FormulaC22H35NO4Si
Molecular Weight405.61 g/mol
Exact Mass405.23
IUPAC NameN-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(=O)/C=C/CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H35NO4Si/c1-22(2,3)28(5,6)27-17-13-9-7-8-10-16-20(24)23-21(25)18-14-11-12-15-19(18)26-4/h10-12,14-16H,7-9,13,17H2,1-6H3,(H,23,24,25)/b16-10+
InChIKeyOGWOPLAUCTYXCI-MHWRWJLKSA-N
XLogP5.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.61
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Methoxybenzamide
CID 75540
Exalamide
CID 3316
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368
2-hydroxy-N-[2-(2-methoxyphenyl)acetyl]benzamide
CID 2815183
2-Methoxy-N-(phenylmethyl)benzamide
CID 700577
2-(2-Hexyldecyloxy)benzamide
CID 18740353
[2-[(2-Methoxybenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 24980569
2-hydroxy-N-[3-(4-methoxyphenyl)prop-2-enoyl]benzamide
CID 740401
Sbb012702
CID 729749
Pentalamide
CID 71661
2-Methoxy-N-methylbenzamide
CID 76940

Frequently Asked Questions

What is the IUPAC name of N-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide?
The IUPAC name of N-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide (CID 11625600) is N-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide?
The canonical SMILES for N-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(=O)/C=C/CCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide?
The InChIKey is OGWOPLAUCTYXCI-MHWRWJLKSA-N. The full InChI is InChI=1S/C22H35NO4Si/c1-22(2,3)28(5,6)27-17-13-9-7-8-10-16-20(24)23-21(25)18-14-11-12-15-19(18)26-4/h10-12,14-16H,7-9,13,17H2,1-6H3,(H,23,24,25)/b16-10+.
What are the key properties of N-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide?
N-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide has a molecular weight of 405.61 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-enoyl]-2-methoxybenzamide is sourced from PubChem (CID 11625600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).