(2R)-N-[(3S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexyl]-N,2-dimethylbutanamide

C30H47NO2Si — CID 11167577

IUPAC(2R)-N-[(3S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexyl]-N,2-dimethylbutanamide
SMILESCC[C@@H](C)C(=O)N(C)CC[C@@H](C)C[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H47NO2Si/c1-9-26(4)29(32)31(8)21-20-24(2)22-25(3)23-33-34(30(5,6)7,27-16-12-10-13-17-27)28-18-14-11-15-19-28/h10-19,24-26H,9,20-23H2,1-8H3/t24-,25+,26-/m1/s1
InChIKeyNWWBCWOMGNBPEH-UODIDJSMSA-N
MW481.80 g/mol
LogP6.12
Rot. Bonds12

About (2R)-N-[(3S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexyl]-N,2-dimethylbutanamide

(2R)-N-[(3S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexyl]-N,2-dimethylbutanamide (PubChem CID 11167577) has the molecular formula C30H47NO2Si and a molecular weight of 481.80 g/mol. Its IUPAC name is (2R)-N-[(3S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexyl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(3S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexyl]-N,2-dimethylbutanamide
PubChem CID11167577
Molecular FormulaC30H47NO2Si
Molecular Weight481.80 g/mol
Exact Mass481.34
IUPAC Name(2R)-N-[(3S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexyl]-N,2-dimethylbutanamide
SMILESCC[C@@H](C)C(=O)N(C)CC[C@@H](C)C[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H47NO2Si/c1-9-26(4)29(32)31(8)21-20-24(2)22-25(3)23-33-34(30(5,6)7,27-16-12-10-13-17-27)28-18-14-11-15-19-28/h10-19,24-26H,9,20-23H2,1-8H3/t24-,25+,26-/m1/s1
InChIKeyNWWBCWOMGNBPEH-UODIDJSMSA-N
XLogP6.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.80
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one
CID 101259554
(2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one
CID 101353143
4-[tert-butyl(diphenyl)silyl]oxy-1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-5-ethenylhept-6-en-1-one
CID 134849748
[1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexa-2,5-dien-1-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 134887002
1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone
CID 67964999
N-(5-(tert-Butyldiphenylsilyloxy)pentyl)-N-isopropylheptanamide
CID 70819093
2-ethyl-4-[hydroxy(diphenyl)silyl]-N-methoxy-N,4-dimethylpentanamide
CID 89171443
N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide
CID 90098397
N-[12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide
CID 123488240
(5R)-5-[tert-butyl(diphenyl)silyl]oxy-6-[ethyl(methyl)amino]-2-methylhexan-3-one
CID 164897272
(5S)-5-[tert-butyl(diphenyl)silyl]oxy-6-[ethyl(methyl)amino]-2-methylhexan-3-one
CID 164897287
5-[Tert-butyl(diphenyl)silyl]oxy-6-[ethyl(methyl)amino]-2-methylhexan-3-one
CID 174048198

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexyl]-N,2-dimethylbutanamide?
The IUPAC name of (2R)-N-[(3S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexyl]-N,2-dimethylbutanamide (CID 11167577) is (2R)-N-[(3S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexyl]-N,2-dimethylbutanamide.
What is the SMILES notation for (2R)-N-[(3S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexyl]-N,2-dimethylbutanamide?
The canonical SMILES for (2R)-N-[(3S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexyl]-N,2-dimethylbutanamide is CC[C@@H](C)C(=O)N(C)CC[C@@H](C)C[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-N-[(3S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexyl]-N,2-dimethylbutanamide?
The InChIKey is NWWBCWOMGNBPEH-UODIDJSMSA-N. The full InChI is InChI=1S/C30H47NO2Si/c1-9-26(4)29(32)31(8)21-20-24(2)22-25(3)23-33-34(30(5,6)7,27-16-12-10-13-17-27)28-18-14-11-15-19-28/h10-19,24-26H,9,20-23H2,1-8H3/t24-,25+,26-/m1/s1.
What are the key properties of (2R)-N-[(3S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexyl]-N,2-dimethylbutanamide?
(2R)-N-[(3S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexyl]-N,2-dimethylbutanamide has a molecular weight of 481.80 g/mol, XLogP of 6.12, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexyl]-N,2-dimethylbutanamide is sourced from PubChem (CID 11167577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).