N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-hydroxypropan-2-yl]tetradecanamide

C50H86N8O4Si — CID 160912990

IUPACN-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-hydroxypropan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@@H](CO)CN=[N+]=[N-].CCCCCCCCCCCCCC(=O)N[C@H](CN=[N+]=[N-])CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H52N4O2Si.C17H34N4O2/c1-5-6-7-8-9-10-11-12-13-14-21-26-32(38)36-29(27-35-37-34)28-39-40(33(2,3)4,30-22-17-15-18-23-30)31-24-19-16-20-25-31;1-2-3-4-5-6-7-8-9-10-11-12-13-17(23)20-16(15-22)14-19-21-18/h15-20,22-25,29H,5-14,21,26-28H2,1-4H3,(H,36,38);16,22H,2-15H2,1H3,(H,20,23)/t29-;16-/m11/s1
InChIKeySRAOONHRQWJWIP-XPHIDUMHSA-N
MW891.38 g/mol
LogP12.53
Rot. Bonds36

About N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-hydroxypropan-2-yl]tetradecanamide

N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-hydroxypropan-2-yl]tetradecanamide (PubChem CID 160912990) has the molecular formula C50H86N8O4Si and a molecular weight of 891.38 g/mol. Its IUPAC name is N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-hydroxypropan-2-yl]tetradecanamide.

Molecular Properties

Compound NameN-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-hydroxypropan-2-yl]tetradecanamide
PubChem CID160912990
Molecular FormulaC50H86N8O4Si
Molecular Weight891.38 g/mol
Exact Mass890.65
IUPAC NameN-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-hydroxypropan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@@H](CO)CN=[N+]=[N-].CCCCCCCCCCCCCC(=O)N[C@H](CN=[N+]=[N-])CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H52N4O2Si.C17H34N4O2/c1-5-6-7-8-9-10-11-12-13-14-21-26-32(38)36-29(27-35-37-34)28-39-40(33(2,3)4,30-22-17-15-18-23-30)31-24-19-16-20-25-31;1-2-3-4-5-6-7-8-9-10-11-12-13-17(23)20-16(15-22)14-19-21-18/h15-20,22-25,29H,5-14,21,26-28H2,1-4H3,(H,36,38);16,22H,2-15H2,1H3,(H,20,23)/t29-;16-/m11/s1
InChIKeySRAOONHRQWJWIP-XPHIDUMHSA-N
XLogP12.53
TPSA185.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds36
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.38
LogP ≤ 512.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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]hexadecanamide
CID 14035022
N-[1-[[[(1,1-Dimethylethyl)diphenylsilyl]oxy]methyl]-2-hydroxybutyl]Heptanamide
CID 54199636
N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide
CID 57070793
N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentan-2-yl]heptanamide
CID 57206099
N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecyl]-methylamino]propan-2-yl]tetradecanamide
CID 57757067
N-[(E,2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyoctadec-4-en-2-yl]hexadecanamide
CID 57978525
N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide
CID 59055079
N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-[[(3R)-3-hydroxydecanoyl]amino]propan-2-yl]tetradecanamide
CID 59055104
N-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide
CID 59055105
N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyoctadec-4-en-2-yl]hexadecanamide
CID 90937236
N-[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctadec-4-en-2-yl]hexadecanamide
CID 90968598
N-[(E,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyoctadec-4-en-2-yl]hexadecanamide
CID 140525745

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-hydroxypropan-2-yl]tetradecanamide?
The IUPAC name of N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-hydroxypropan-2-yl]tetradecanamide (CID 160912990) is N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-hydroxypropan-2-yl]tetradecanamide.
What is the SMILES notation for N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-hydroxypropan-2-yl]tetradecanamide?
The canonical SMILES for N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-hydroxypropan-2-yl]tetradecanamide is CCCCCCCCCCCCCC(=O)N[C@@H](CO)CN=[N+]=[N-].CCCCCCCCCCCCCC(=O)N[C@H](CN=[N+]=[N-])CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-hydroxypropan-2-yl]tetradecanamide?
The InChIKey is SRAOONHRQWJWIP-XPHIDUMHSA-N. The full InChI is InChI=1S/C33H52N4O2Si.C17H34N4O2/c1-5-6-7-8-9-10-11-12-13-14-21-26-32(38)36-29(27-35-37-34)28-39-40(33(2,3)4,30-22-17-15-18-23-30)31-24-19-16-20-25-31;1-2-3-4-5-6-7-8-9-10-11-12-13-17(23)20-16(15-22)14-19-21-18/h15-20,22-25,29H,5-14,21,26-28H2,1-4H3,(H,36,38);16,22H,2-15H2,1H3,(H,20,23)/t29-;16-/m11/s1.
What are the key properties of N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-hydroxypropan-2-yl]tetradecanamide?
N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-hydroxypropan-2-yl]tetradecanamide has a molecular weight of 891.38 g/mol, XLogP of 12.53, 36 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide;N-[(2R)-1-azido-3-hydroxypropan-2-yl]tetradecanamide is sourced from PubChem (CID 160912990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).