CID 155630711

C28H47BNO6Si — CID 155630711

IUPAC—
SMILESC[Si](C)CCCOc1c(C(=O)NC(C)(C)CC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c2c1OCCO2
InChIInChI=1S/C28H47BNO6Si/c1-25(2,3)18-26(4,5)30-24(31)19-17-20(29-35-27(6,7)28(8,9)36-29)22-23(34-15-14-33-22)21(19)32-13-12-16-37(10)11/h17H,12-16,18H2,1-11H3,(H,30,31)
InChIKeySCBPDXJGMBHSJR-UHFFFAOYSA-N
MW532.58 g/mol
LogP5.22
Rot. Bonds9

About CID 155630711

CID 155630711 (PubChem CID 155630711) has the molecular formula C28H47BNO6Si and a molecular weight of 532.58 g/mol.

Molecular Properties

Compound NameCID 155630711
PubChem CID155630711
Molecular FormulaC28H47BNO6Si
Molecular Weight532.58 g/mol
Exact Mass532.33
IUPAC Name—
SMILESC[Si](C)CCCOc1c(C(=O)NC(C)(C)CC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c2c1OCCO2
InChIInChI=1S/C28H47BNO6Si/c1-25(2,3)18-26(4,5)30-24(31)19-17-20(29-35-27(6,7)28(8,9)36-29)22-23(34-15-14-33-22)21(19)32-13-12-16-37(10)11/h17H,12-16,18H2,1-11H3,(H,30,31)
InChIKeySCBPDXJGMBHSJR-UHFFFAOYSA-N
XLogP5.22
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.58
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3,4-dimethoxy-2-(2-sulfanylethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 174116304
3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[2-(trimethyl-λ4-sulfanyl)ethoxy]-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 174116296
3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide
CID 155630738
5-hydroxy-N-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 139405223
3-chloro-2-fluorobenzoic acid;3-chloro-2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide;3-chloro-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,4-trimethylpentan-2-amine
CID 159202461
5-bromo-3-chloro-4-methoxy-2-[2-(trimethyl-λ4-sulfanyl)ethoxy]-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 170224787
2-(3-dimethylsilylpropoxy)-4-fluoro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,4,4-trimethylpentan-2-yl)benzamide;2-(3-dimethylsilylpropoxy)-4-fluoro-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide;4-fluoro-2-hydroxy-3-methoxybenzoic acid;4-fluoro-2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide;1-fluoro-3-(methoxymethoxy)benzene;1-fluoro-2-methoxy-3-(methoxymethoxy)benzene;2-fluoro-6-(methoxymethoxy)phenol;3-fluorophenol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,4-trimethylpentan-2-amine
CID 158283445
2-hydroxy-3-methoxybenzoic acid;2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide;3-methoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,4-trimethylpentan-2-amine;2-trimethylsilylethanol
CID 162248764
2-bromo-5-sulfanyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 107026909
N-(cyclopropylmethyl)-2-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 171905768
2-amino-5-methyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 62509238
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 54943331

Frequently Asked Questions

What is the IUPAC name of CID 155630711?
The IUPAC name of CID 155630711 (CID 155630711) is not available.
What is the SMILES notation for CID 155630711?
The canonical SMILES for CID 155630711 is C[Si](C)CCCOc1c(C(=O)NC(C)(C)CC(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c2c1OCCO2.
What is the InChIKey of CID 155630711?
The InChIKey is SCBPDXJGMBHSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47BNO6Si/c1-25(2,3)18-26(4,5)30-24(31)19-17-20(29-35-27(6,7)28(8,9)36-29)22-23(34-15-14-33-22)21(19)32-13-12-16-37(10)11/h17H,12-16,18H2,1-11H3,(H,30,31).
What are the key properties of CID 155630711?
CID 155630711 has a molecular weight of 532.58 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155630711 is sourced from PubChem (CID 155630711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).