N-(2-nonoxy-3-trityloxypropyl)tetradecanamide

C45H67NO3 — CID 10941402

IUPACN-(2-nonoxy-3-trityloxypropyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCCCC
InChIInChI=1S/C45H67NO3/c1-3-5-7-9-11-12-13-14-15-17-28-36-44(47)46-38-43(48-37-29-18-16-10-8-6-4-2)39-49-45(40-30-22-19-23-31-40,41-32-24-20-25-33-41)42-34-26-21-27-35-42/h19-27,30-35,43H,3-18,28-29,36-39H2,1-2H3,(H,46,47)
InChIKeyJPTHMNBDQXYHDO-UHFFFAOYSA-N
MW670.04 g/mol
LogP11.95
Rot. Bonds29

About N-(2-nonoxy-3-trityloxypropyl)tetradecanamide

N-(2-nonoxy-3-trityloxypropyl)tetradecanamide (PubChem CID 10941402) has the molecular formula C45H67NO3 and a molecular weight of 670.04 g/mol. Its IUPAC name is N-(2-nonoxy-3-trityloxypropyl)tetradecanamide.

Molecular Properties

Compound NameN-(2-nonoxy-3-trityloxypropyl)tetradecanamide
PubChem CID10941402
Molecular FormulaC45H67NO3
Molecular Weight670.04 g/mol
Exact Mass669.51
IUPAC NameN-(2-nonoxy-3-trityloxypropyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCCCC
InChIInChI=1S/C45H67NO3/c1-3-5-7-9-11-12-13-14-15-17-28-36-44(47)46-38-43(48-37-29-18-16-10-8-6-4-2)39-49-45(40-30-22-19-23-31-40,41-32-24-20-25-33-41)42-34-26-21-27-35-42/h19-27,30-35,43H,3-18,28-29,36-39H2,1-2H3,(H,46,47)
InChIKeyJPTHMNBDQXYHDO-UHFFFAOYSA-N
XLogP11.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.04
LogP ≤ 511.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-nonoxy-3-trityloxypropyl)tetradecanamide?
The IUPAC name of N-(2-nonoxy-3-trityloxypropyl)tetradecanamide (CID 10941402) is N-(2-nonoxy-3-trityloxypropyl)tetradecanamide.
What is the SMILES notation for N-(2-nonoxy-3-trityloxypropyl)tetradecanamide?
The canonical SMILES for N-(2-nonoxy-3-trityloxypropyl)tetradecanamide is CCCCCCCCCCCCCC(=O)NCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCCCC.
What is the InChIKey of N-(2-nonoxy-3-trityloxypropyl)tetradecanamide?
The InChIKey is JPTHMNBDQXYHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H67NO3/c1-3-5-7-9-11-12-13-14-15-17-28-36-44(47)46-38-43(48-37-29-18-16-10-8-6-4-2)39-49-45(40-30-22-19-23-31-40,41-32-24-20-25-33-41)42-34-26-21-27-35-42/h19-27,30-35,43H,3-18,28-29,36-39H2,1-2H3,(H,46,47).
What are the key properties of N-(2-nonoxy-3-trityloxypropyl)tetradecanamide?
N-(2-nonoxy-3-trityloxypropyl)tetradecanamide has a molecular weight of 670.04 g/mol, XLogP of 11.95, 29 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nonoxy-3-trityloxypropyl)tetradecanamide is sourced from PubChem (CID 10941402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).