(4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide

C16H33NO4Si — CID 58077726

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide
SMILESCON(C)C(=O)C(C)C[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO4Si/c1-13(15(19)17(5)20-6)12-14(10-9-11-18)21-22(7,8)16(2,3)4/h11,13-14H,9-10,12H2,1-8H3/t13?,14-/m1/s1
InChIKeyCGUDCUSTUMFEEQ-ARLHGKGLSA-N
MW331.53 g/mol
LogP3.40
Rot. Bonds9

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide (PubChem CID 58077726) has the molecular formula C16H33NO4Si and a molecular weight of 331.53 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide
PubChem CID58077726
Molecular FormulaC16H33NO4Si
Molecular Weight331.53 g/mol
Exact Mass331.22
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide
SMILESCON(C)C(=O)C(C)C[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO4Si/c1-13(15(19)17(5)20-6)12-14(10-9-11-18)21-22(7,8)16(2,3)4/h11,13-14H,9-10,12H2,1-8H3/t13?,14-/m1/s1
InChIKeyCGUDCUSTUMFEEQ-ARLHGKGLSA-N
XLogP3.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(5-butyl-3-methylideneoxolan-2-yl)-N-methoxy-N,2-dimethylhexanamide
CID 58991011
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-8-methylnonanal
CID 11558306
N-methoxy-N,2-dimethyl-7-oxoheptanamide
CID 139377372
3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide
CID 18678788
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N,3,3-trimethylbutanamide
CID 11109525
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(5S)-5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methylideneoxolan-2-yl]-N-methoxy-N,2-dimethylhexanamide
CID 88913790
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-N-methoxyoct-7-enamide
CID 101449444
methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxoheptanoate
CID 11514981
(5S)-5-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 11021146
(2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide
CID 11281464
(2S,3R,6S,8S,9R,10S)-3-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-N-methoxy-N,2,6,8,10-pentamethyldodec-11-ynamide
CID 66572021
(E,2S)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-7-chloro-N-methoxy-N,6-dimethylhept-5-enamide
CID 25128578

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide (CID 58077726) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide is CON(C)C(=O)C(C)C[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide?
The InChIKey is CGUDCUSTUMFEEQ-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H33NO4Si/c1-13(15(19)17(5)20-6)12-14(10-9-11-18)21-22(7,8)16(2,3)4/h11,13-14H,9-10,12H2,1-8H3/t13?,14-/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide?
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide has a molecular weight of 331.53 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide is sourced from PubChem (CID 58077726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).