N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide

C29H35Cl2NO4Si — CID 69233279

IUPACN-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide
SMILESCC(C)(C)[Si](C)(C)OCCCOc1ccccc1NC(=O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C29H35Cl2NO4Si/c1-29(2,3)37(4,5)36-17-11-16-34-26-15-10-9-14-25(26)32-28(33)22-18-23(30)27(24(31)19-22)35-20-21-12-7-6-8-13-21/h6-10,12-15,18-19H,11,16-17,20H2,1-5H3,(H,32,33)
InChIKeyVYBTZNDODNDNFV-UHFFFAOYSA-N
MW560.59 g/mol
LogP8.62
Rot. Bonds11

About N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide

N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide (PubChem CID 69233279) has the molecular formula C29H35Cl2NO4Si and a molecular weight of 560.59 g/mol. Its IUPAC name is N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide
PubChem CID69233279
Molecular FormulaC29H35Cl2NO4Si
Molecular Weight560.59 g/mol
Exact Mass559.17
IUPAC NameN-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide
SMILESCC(C)(C)[Si](C)(C)OCCCOc1ccccc1NC(=O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C29H35Cl2NO4Si/c1-29(2,3)37(4,5)36-17-11-16-34-26-15-10-9-14-25(26)32-28(33)22-18-23(30)27(24(31)19-22)35-20-21-12-7-6-8-13-21/h6-10,12-15,18-19H,11,16-17,20H2,1-5H3,(H,32,33)
InChIKeyVYBTZNDODNDNFV-UHFFFAOYSA-N
XLogP8.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.59
LogP ≤ 58.62
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'}

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Related Compounds

3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide
CID 1008068
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
3-chloro-4-methoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4275970
3-chloro-4-ethoxy-N-naphthalen-1-yl-5-phenylmethoxybenzamide
CID 4675114
tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide
CID 162028338
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
3,5-dichloro-4-phenylmethoxybenzoyl chloride
CID 11255525
3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]-N-naphthalen-1-ylbenzamide
CID 4539305
N-(2-phenylmethoxyphenyl)-4-(trifluoromethyl)benzamide
CID 141040203
2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid
CID 22554
4-bromo-N-(2-phenylmethoxyphenyl)benzamide
CID 54791158
3-chloro-N-(3-iodophenyl)-4-methoxy-5-phenylmethoxybenzamide
CID 5017519

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide (CID 69233279) is N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide is CC(C)(C)[Si](C)(C)OCCCOc1ccccc1NC(=O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide?
The InChIKey is VYBTZNDODNDNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35Cl2NO4Si/c1-29(2,3)37(4,5)36-17-11-16-34-26-15-10-9-14-25(26)32-28(33)22-18-23(30)27(24(31)19-22)35-20-21-12-7-6-8-13-21/h6-10,12-15,18-19H,11,16-17,20H2,1-5H3,(H,32,33).
What are the key properties of N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide?
N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide has a molecular weight of 560.59 g/mol, XLogP of 8.62, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-3,5-dichloro-4-phenylmethoxybenzamide is sourced from PubChem (CID 69233279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).