N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide

C28H43NO3Si — CID 54199636

IUPACN-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide
SMILESCCCCCCC(=O)NC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(O)CC
InChIInChI=1S/C28H43NO3Si/c1-6-8-9-16-21-27(31)29-25(26(30)7-2)22-32-33(28(3,4)5,23-17-12-10-13-18-23)24-19-14-11-15-20-24/h10-15,17-20,25-26,30H,6-9,16,21-22H2,1-5H3,(H,29,31)
InChIKeyPOHURFAJJICINL-UHFFFAOYSA-N
MW469.74 g/mol
LogP4.79
Rot. Bonds13

About N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide

N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide (PubChem CID 54199636) has the molecular formula C28H43NO3Si and a molecular weight of 469.74 g/mol. Its IUPAC name is N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide.

Molecular Properties

Compound NameN-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide
PubChem CID54199636
Molecular FormulaC28H43NO3Si
Molecular Weight469.74 g/mol
Exact Mass469.30
IUPAC NameN-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide
SMILESCCCCCCC(=O)NC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(O)CC
InChIInChI=1S/C28H43NO3Si/c1-6-8-9-16-21-27(31)29-25(26(30)7-2)22-32-33(28(3,4)5,23-17-12-10-13-18-23)24-19-14-11-15-20-24/h10-15,17-20,25-26,30H,6-9,16,21-22H2,1-5H3,(H,29,31)
InChIKeyPOHURFAJJICINL-UHFFFAOYSA-N
XLogP4.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.74
LogP ≤ 54.79
H-Bond Donors ≤ 52
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-[(E,2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctadec-4-en-2-yl]-2,2,2-trifluoroacetamide
CID 53465867
N-[(2S,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4-iodooctadecan-2-yl]-2,2,2-trifluoroacetamide
CID 134835094
(6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 11682145
N-[1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide
CID 123983134
N-[(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxypentan-2-yl]-2,2,2-trifluoroacetamide
CID 148709292
(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
CID 11003169
(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one
CID 11589615
(5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]pyrrolidin-2-one
CID 135013759
N-[(2S,3R,4E,8E)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-9-methyloctadeca-4,8-dien-2-yl]-2,2,2-trifluoroacetamide
CID 11093495
(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidin-2-one
CID 11760411
(2S)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide
CID 12043092
N-[(E,2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctadec-4-en-2-yl]hexadecanamide
CID 14035022

Frequently Asked Questions

What is the IUPAC name of N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide?
The IUPAC name of N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide (CID 54199636) is N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide.
What is the SMILES notation for N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide?
The canonical SMILES for N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide is CCCCCCC(=O)NC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(O)CC.
What is the InChIKey of N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide?
The InChIKey is POHURFAJJICINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43NO3Si/c1-6-8-9-16-21-27(31)29-25(26(30)7-2)22-32-33(28(3,4)5,23-17-12-10-13-18-23)24-19-14-11-15-20-24/h10-15,17-20,25-26,30H,6-9,16,21-22H2,1-5H3,(H,29,31).
What are the key properties of N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide?
N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide has a molecular weight of 469.74 g/mol, XLogP of 4.79, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide is sourced from PubChem (CID 54199636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).