N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide

C28H34ClNO2Si — CID 11134602

IUPACN-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide
SMILESCC(C)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H34ClNO2Si/c1-21(2)26(30-27(31)22-16-18-23(29)19-17-22)20-32-33(28(3,4)5,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-19,21,26H,20H2,1-5H3,(H,30,31)
InChIKeyOTCABOBJQJCHGX-UHFFFAOYSA-N
MW480.12 g/mol
LogP5.67
Rot. Bonds8

About N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide

N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide (PubChem CID 11134602) has the molecular formula C28H34ClNO2Si and a molecular weight of 480.12 g/mol. Its IUPAC name is N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide
PubChem CID11134602
Molecular FormulaC28H34ClNO2Si
Molecular Weight480.12 g/mol
Exact Mass479.20
IUPAC NameN-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide
SMILESCC(C)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H34ClNO2Si/c1-21(2)26(30-27(31)22-16-18-23(29)19-17-22)20-32-33(28(3,4)5,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-19,21,26H,20H2,1-5H3,(H,30,31)
InChIKeyOTCABOBJQJCHGX-UHFFFAOYSA-N
XLogP5.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.12
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 114305535
N-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]benzamide
CID 11341192
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 66637054
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal
CID 156904158
tert-butyl N-[(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-methyl-5-oxohexan-2-yl]carbamate
CID 102155717
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
4-chloro-N-propan-2-ylbenzamide
CID 24045
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717

Frequently Asked Questions

What is the IUPAC name of N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide (CID 11134602) is N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide is CC(C)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide?
The InChIKey is OTCABOBJQJCHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClNO2Si/c1-21(2)26(30-27(31)22-16-18-23(29)19-17-22)20-32-33(28(3,4)5,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-19,21,26H,20H2,1-5H3,(H,30,31).
What are the key properties of N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide?
N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide has a molecular weight of 480.12 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 11134602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).