(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide

C17H36N2O3Si — CID 101449444

IUPAC(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide
SMILESC=CCC[C@H](C[C@H](C(=O)NOC)N(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36N2O3Si/c1-10-11-12-14(22-23(8,9)17(2,3)4)13-15(19(5)6)16(20)18-21-7/h10,14-15H,1,11-13H2,2-9H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyQPCNMTQQHZUQFD-HUUCEWRRSA-N
MW344.57 g/mol
LogP3.34
Rot. Bonds10

About (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide

(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide (PubChem CID 101449444) has the molecular formula C17H36N2O3Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide.

Molecular Properties

Compound Name(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide
PubChem CID101449444
Molecular FormulaC17H36N2O3Si
Molecular Weight344.57 g/mol
Exact Mass344.25
IUPAC Name(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide
SMILESC=CCC[C@H](C[C@H](C(=O)NOC)N(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36N2O3Si/c1-10-11-12-14(22-23(8,9)17(2,3)4)13-15(19(5)6)16(20)18-21-7/h10,14-15H,1,11-13H2,2-9H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyQPCNMTQQHZUQFD-HUUCEWRRSA-N
XLogP3.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide?
The IUPAC name of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide (CID 101449444) is (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide.
What is the SMILES notation for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide?
The canonical SMILES for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide is C=CCC[C@H](C[C@H](C(=O)NOC)N(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide?
The InChIKey is QPCNMTQQHZUQFD-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H36N2O3Si/c1-10-11-12-14(22-23(8,9)17(2,3)4)13-15(19(5)6)16(20)18-21-7/h10,14-15H,1,11-13H2,2-9H3,(H,18,20)/t14-,15-/m1/s1.
What are the key properties of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide?
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide has a molecular weight of 344.57 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide is sourced from PubChem (CID 101449444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).