5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide

C17H29ClN2O2Si — CID 141473363

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide
SMILESCC(C)(C)[Si](C)(C)OCCCC/C(=N\c1cccc(Cl)c1)NO
InChIInChI=1S/C17H29ClN2O2Si/c1-17(2,3)23(4,5)22-12-7-6-11-16(20-21)19-15-10-8-9-14(18)13-15/h8-10,13,21H,6-7,11-12H2,1-5H3,(H,19,20)
InChIKeyDIOBHVZIMAWHIE-UHFFFAOYSA-N
MW356.97 g/mol
LogP5.54
Rot. Bonds7

About 5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide

5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide (PubChem CID 141473363) has the molecular formula C17H29ClN2O2Si and a molecular weight of 356.97 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide
PubChem CID141473363
Molecular FormulaC17H29ClN2O2Si
Molecular Weight356.97 g/mol
Exact Mass356.17
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide
SMILESCC(C)(C)[Si](C)(C)OCCCC/C(=N\c1cccc(Cl)c1)NO
InChIInChI=1S/C17H29ClN2O2Si/c1-17(2,3)23(4,5)22-12-7-6-11-16(20-21)19-15-10-8-9-14(18)13-15/h8-10,13,21H,6-7,11-12H2,1-5H3,(H,19,20)
InChIKeyDIOBHVZIMAWHIE-UHFFFAOYSA-N
XLogP5.54
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.97
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide
CID 129074919
N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide
CID 67032180
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane
CID 141107768
N'-(3-chlorophenyl)-2,2-dimethylpropanimidamide
CID 63178650
(6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-(3-chlorophenyl)-6-methylheptan-2-one
CID 102367473
N'-(3-chlorophenyl)-N-hydroxy-4-methylsulfanyl-1,2,5-oxadiazole-3-carboximidamide
CID 141475064
7-[tert-butyl(dimethyl)silyl]oxy-1-phenylhept-1-yn-3-one
CID 46848785
tert-butyl-dimethyl-(4-pyridin-3-yloxybutoxy)silane
CID 15887443
tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane
CID 67464197
N-benzyl-5-[tert-butyl(dimethyl)silyl]oxypentan-1-amine
CID 11709316

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide (CID 141473363) is 5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide is CC(C)(C)[Si](C)(C)OCCCC/C(=N\c1cccc(Cl)c1)NO.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide?
The InChIKey is DIOBHVZIMAWHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2O2Si/c1-17(2,3)23(4,5)22-12-7-6-11-16(20-21)19-15-10-8-9-14(18)13-15/h8-10,13,21H,6-7,11-12H2,1-5H3,(H,19,20).
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide?
5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide has a molecular weight of 356.97 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide is sourced from PubChem (CID 141473363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).