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

C33H54N2O2Si — CID 59055105

IUPACN-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@H](CN)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H54N2O2Si/c1-5-6-7-8-9-10-11-12-13-14-21-26-32(36)35-29(27-34)28-37-38(33(2,3)4,30-22-17-15-18-23-30)31-24-19-16-20-25-31/h15-20,22-25,29H,5-14,21,26-28,34H2,1-4H3,(H,35,36)/t29-/m1/s1
InChIKeyADPNYPMETFTKSX-GDLZYMKVSA-N
MW538.89 g/mol
LogP6.71
Rot. Bonds19

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

N-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide (PubChem CID 59055105) has the molecular formula C33H54N2O2Si and a molecular weight of 538.89 g/mol. Its IUPAC name is N-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide
PubChem CID59055105
Molecular FormulaC33H54N2O2Si
Molecular Weight538.89 g/mol
Exact Mass538.40
IUPAC NameN-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@H](CN)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H54N2O2Si/c1-5-6-7-8-9-10-11-12-13-14-21-26-32(36)35-29(27-34)28-37-38(33(2,3)4,30-22-17-15-18-23-30)31-24-19-16-20-25-31/h15-20,22-25,29H,5-14,21,26-28,34H2,1-4H3,(H,35,36)/t29-/m1/s1
InChIKeyADPNYPMETFTKSX-GDLZYMKVSA-N
XLogP6.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.89
LogP ≤ 56.71
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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide?
The IUPAC name of N-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide (CID 59055105) is N-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide.
What is the SMILES notation for N-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide?
The canonical SMILES for N-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide is CCCCCCCCCCCCCC(=O)N[C@H](CN)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide?
The InChIKey is ADPNYPMETFTKSX-GDLZYMKVSA-N. The full InChI is InChI=1S/C33H54N2O2Si/c1-5-6-7-8-9-10-11-12-13-14-21-26-32(36)35-29(27-34)28-37-38(33(2,3)4,30-22-17-15-18-23-30)31-24-19-16-20-25-31/h15-20,22-25,29H,5-14,21,26-28,34H2,1-4H3,(H,35,36)/t29-/m1/s1.
What are the key properties of N-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide?
N-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide has a molecular weight of 538.89 g/mol, XLogP of 6.71, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]tetradecanamide is sourced from PubChem (CID 59055105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).