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

C33H52N4O2Si — CID 59055079

IUPACN-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@H](CN=[N+]=[N-])CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H52N4O2Si/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/h15-20,22-25,29H,5-14,21,26-28H2,1-4H3,(H,36,38)/t29-/m1/s1
InChIKeyADSPURCZWHESAK-GDLZYMKVSA-N
MW564.89 g/mol
LogP8.06
Rot. Bonds20

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

N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide (PubChem CID 59055079) has the molecular formula C33H52N4O2Si and a molecular weight of 564.89 g/mol. Its IUPAC name is N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide.

Molecular Properties

Compound NameN-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide
PubChem CID59055079
Molecular FormulaC33H52N4O2Si
Molecular Weight564.89 g/mol
Exact Mass564.39
IUPAC NameN-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@H](CN=[N+]=[N-])CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H52N4O2Si/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/h15-20,22-25,29H,5-14,21,26-28H2,1-4H3,(H,36,38)/t29-/m1/s1
InChIKeyADSPURCZWHESAK-GDLZYMKVSA-N
XLogP8.06
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.89
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide?
The IUPAC name of N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide (CID 59055079) is N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide.
What is the SMILES notation for N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide?
The canonical SMILES for N-[(2R)-1-azido-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide is 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?
The InChIKey is ADSPURCZWHESAK-GDLZYMKVSA-N. The full InChI is InChI=1S/C33H52N4O2Si/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/h15-20,22-25,29H,5-14,21,26-28H2,1-4H3,(H,36,38)/t29-/m1/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-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide has a molecular weight of 564.89 g/mol, XLogP of 8.06, 20 rotatable bonds, 1 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 59055079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).