N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylmethoxypentan-2-yl]heptanamide

C35H49NO3Si — CID 57131986

IUPACN-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylmethoxypentan-2-yl]heptanamide
SMILESCCCCCCC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](CC)OCc1ccccc1
InChIInChI=1S/C35H49NO3Si/c1-6-8-9-19-26-34(37)36-32(33(7-2)38-27-29-20-13-10-14-21-29)28-39-40(35(3,4)5,30-22-15-11-16-23-30)31-24-17-12-18-25-31/h10-18,20-25,32-33H,6-9,19,26-28H2,1-5H3,(H,36,37)/t32-,33+/m0/s1
InChIKeyYVODMOHNSNNIBZ-JHOUSYSJSA-N
MW559.87 g/mol
LogP7.01
Rot. Bonds16

About N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylmethoxypentan-2-yl]heptanamide

N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylmethoxypentan-2-yl]heptanamide (PubChem CID 57131986) has the molecular formula C35H49NO3Si and a molecular weight of 559.87 g/mol. Its IUPAC name is N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylmethoxypentan-2-yl]heptanamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylmethoxypentan-2-yl]heptanamide
PubChem CID57131986
Molecular FormulaC35H49NO3Si
Molecular Weight559.87 g/mol
Exact Mass559.35
IUPAC NameN-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylmethoxypentan-2-yl]heptanamide
SMILESCCCCCCC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](CC)OCc1ccccc1
InChIInChI=1S/C35H49NO3Si/c1-6-8-9-19-26-34(37)36-32(33(7-2)38-27-29-20-13-10-14-21-29)28-39-40(35(3,4)5,30-22-15-11-16-23-30)31-24-17-12-18-25-31/h10-18,20-25,32-33H,6-9,19,26-28H2,1-5H3,(H,36,37)/t32-,33+/m0/s1
InChIKeyYVODMOHNSNNIBZ-JHOUSYSJSA-N
XLogP7.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.87
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
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2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide
CID 11373377
(3S,6R,9R,12R,15S)-9-benzyl-1-methyl-3,12-bis(2-methylpropyl)-6-[(S)-phenyl(phenylmethoxy)methyl]-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 52941791
(3S,6S,9R,12R,15S)-9-benzyl-1-methyl-3,12-bis(2-methylpropyl)-6-[(S)-phenyl(phenylmethoxy)methyl]-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 52945431
(3S,6R,9R,12R,15S)-9-benzyl-1-methyl-3,12-bis(2-methylpropyl)-6-[(R)-phenyl(phenylmethoxy)methyl]-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 52946644
(3R,6R,9R,12S,15S)-6-benzyl-1-methyl-3,12-bis(2-methylpropyl)-9-[(R)-phenyl(phenylmethoxy)methyl]-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 71457523
N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide
CID 10872865
[(1S)-1-phenylethyl] (2S)-2-acetamido-3-phenylpropanoate
CID 10990574
N-[(2S,4S,5R)-4-methyl-2-phenyl-1,3-dioxan-5-yl]-2-phenylacetamide
CID 44435047
N-[(2R,4S,5R)-4-methyl-2-phenyl-1,3-dioxan-5-yl]-2-phenylacetamide
CID 44435077
(3S,6S,9R,12R,15S)-9-benzyl-1-methyl-3,12-bis(2-methylpropyl)-6-[(R)-phenyl(phenylmethoxy)methyl]-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 52948959

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylmethoxypentan-2-yl]heptanamide?
The IUPAC name of N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylmethoxypentan-2-yl]heptanamide (CID 57131986) is N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylmethoxypentan-2-yl]heptanamide.
What is the SMILES notation for N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylmethoxypentan-2-yl]heptanamide?
The canonical SMILES for N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylmethoxypentan-2-yl]heptanamide is CCCCCCC(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](CC)OCc1ccccc1.
What is the InChIKey of N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylmethoxypentan-2-yl]heptanamide?
The InChIKey is YVODMOHNSNNIBZ-JHOUSYSJSA-N. The full InChI is InChI=1S/C35H49NO3Si/c1-6-8-9-19-26-34(37)36-32(33(7-2)38-27-29-20-13-10-14-21-29)28-39-40(35(3,4)5,30-22-15-11-16-23-30)31-24-17-12-18-25-31/h10-18,20-25,32-33H,6-9,19,26-28H2,1-5H3,(H,36,37)/t32-,33+/m0/s1.
What are the key properties of N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylmethoxypentan-2-yl]heptanamide?
N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylmethoxypentan-2-yl]heptanamide has a molecular weight of 559.87 g/mol, XLogP of 7.01, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylmethoxypentan-2-yl]heptanamide is sourced from PubChem (CID 57131986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).