N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide

C32H43NO3Si — CID 10768218

IUPACN-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide
SMILESCC(C)(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)c1ccccc1CCCO
InChIInChI=1S/C32H43NO3Si/c1-31(2,3)33(30(35)29-22-14-13-16-26(29)17-15-24-34)23-25-36-37(32(4,5)6,27-18-9-7-10-19-27)28-20-11-8-12-21-28/h7-14,16,18-22,34H,15,17,23-25H2,1-6H3
InChIKeyISGDNVSJXZAWTM-UHFFFAOYSA-N
MW517.79 g/mol
LogP5.43
Rot. Bonds10

About N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide

N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide (PubChem CID 10768218) has the molecular formula C32H43NO3Si and a molecular weight of 517.79 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide
PubChem CID10768218
Molecular FormulaC32H43NO3Si
Molecular Weight517.79 g/mol
Exact Mass517.30
IUPAC NameN-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide
SMILESCC(C)(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)c1ccccc1CCCO
InChIInChI=1S/C32H43NO3Si/c1-31(2,3)33(30(35)29-22-14-13-16-26(29)17-15-24-34)23-25-36-37(32(4,5)6,27-18-9-7-10-19-27)28-20-11-8-12-21-28/h7-14,16,18-22,34H,15,17,23-25H2,1-6H3
InChIKeyISGDNVSJXZAWTM-UHFFFAOYSA-N
XLogP5.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.79
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[3-ethylhexan-3-yl(2-hydroxyethyl)carbamoyl]phenyl]-3-oxobutyl]benzamide
CID 11803472
N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dimethylbenzamide
CID 10743595
10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol
CID 169273518
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
[tert-butyl(diphenyl)silyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]benzoate
CID 11169578
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide
CID 10510422
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethylcarbamic acid
CID 174053128
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
CID 154423315

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide?
The IUPAC name of N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide (CID 10768218) is N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide.
What is the SMILES notation for N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide?
The canonical SMILES for N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide is CC(C)(C)N(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)c1ccccc1CCCO.
What is the InChIKey of N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide?
The InChIKey is ISGDNVSJXZAWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43NO3Si/c1-31(2,3)33(30(35)29-22-14-13-16-26(29)17-15-24-34)23-25-36-37(32(4,5)6,27-18-9-7-10-19-27)28-20-11-8-12-21-28/h7-14,16,18-22,34H,15,17,23-25H2,1-6H3.
What are the key properties of N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide?
N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide has a molecular weight of 517.79 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 10768218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).