N-(2-heptoxy-3-trityloxypropyl)dodecanamide

C41H59NO3 — CID 11734758

IUPACN-(2-heptoxy-3-trityloxypropyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCC
InChIInChI=1S/C41H59NO3/c1-3-5-7-9-10-11-12-13-24-32-40(43)42-34-39(44-33-25-14-8-6-4-2)35-45-41(36-26-18-15-19-27-36,37-28-20-16-21-29-37)38-30-22-17-23-31-38/h15-23,26-31,39H,3-14,24-25,32-35H2,1-2H3,(H,42,43)
InChIKeyURTVMCBVBHEZTJ-UHFFFAOYSA-N
MW613.93 g/mol
LogP10.39
Rot. Bonds25

About N-(2-heptoxy-3-trityloxypropyl)dodecanamide

N-(2-heptoxy-3-trityloxypropyl)dodecanamide (PubChem CID 11734758) has the molecular formula C41H59NO3 and a molecular weight of 613.93 g/mol. Its IUPAC name is N-(2-heptoxy-3-trityloxypropyl)dodecanamide.

Molecular Properties

Compound NameN-(2-heptoxy-3-trityloxypropyl)dodecanamide
PubChem CID11734758
Molecular FormulaC41H59NO3
Molecular Weight613.93 g/mol
Exact Mass613.45
IUPAC NameN-(2-heptoxy-3-trityloxypropyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCC
InChIInChI=1S/C41H59NO3/c1-3-5-7-9-10-11-12-13-24-32-40(43)42-34-39(44-33-25-14-8-6-4-2)35-45-41(36-26-18-15-19-27-36,37-28-20-16-21-29-37)38-30-22-17-23-31-38/h15-23,26-31,39H,3-14,24-25,32-35H2,1-2H3,(H,42,43)
InChIKeyURTVMCBVBHEZTJ-UHFFFAOYSA-N
XLogP10.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.93
LogP ≤ 510.39
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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Related Compounds

N-(2-nonoxy-3-trityloxypropyl)tetradecanamide
CID 10941402
N-(2-pentoxy-3-trityloxypropyl)dodecanamide
CID 11093112
N-(2-nonadecoxy-3-trityloxypropyl)octadecanamide
CID 10876654
N-(2-heptoxy-3-hydroxypropyl)tetradecanamide
CID 10971372
N-(3-hydroxy-2-pentoxypropyl)dodecanamide
CID 10969961
methyl (1-octadecoxy-3-trityloxypropan-2-yl) carbonate
CID 70521222
N-(3-hydroxy-2-pentoxypropyl)hexanamide
CID 11832137
9-[(2S)-3-hydroxy-1-trityloxynonadecan-2-yl]oxynonanoic acid
CID 69043756
[(2S)-2-hexadecanoyloxy-3-trityloxypropyl] hexadecanoate
CID 10819187
(2R,3S,4S,5R)-2,5-dioctadecoxy-1,6-ditrityloxyhexane-3,4-diol
CID 88631205
(2R,3S,4S,5R)-2,5-didecoxy-1,6-ditrityloxyhexane-3,4-diol
CID 88631148
ethyl 5-bromopentanoate;ethyl 5-(1-hexadecoxy-3-trityloxypropan-2-yl)oxypentanoate;1-hexadecoxy-3-trityloxypropan-2-ol
CID 162210371

Frequently Asked Questions

What is the IUPAC name of N-(2-heptoxy-3-trityloxypropyl)dodecanamide?
The IUPAC name of N-(2-heptoxy-3-trityloxypropyl)dodecanamide (CID 11734758) is N-(2-heptoxy-3-trityloxypropyl)dodecanamide.
What is the SMILES notation for N-(2-heptoxy-3-trityloxypropyl)dodecanamide?
The canonical SMILES for N-(2-heptoxy-3-trityloxypropyl)dodecanamide is CCCCCCCCCCCC(=O)NCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCCCCCCC.
What is the InChIKey of N-(2-heptoxy-3-trityloxypropyl)dodecanamide?
The InChIKey is URTVMCBVBHEZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H59NO3/c1-3-5-7-9-10-11-12-13-24-32-40(43)42-34-39(44-33-25-14-8-6-4-2)35-45-41(36-26-18-15-19-27-36,37-28-20-16-21-29-37)38-30-22-17-23-31-38/h15-23,26-31,39H,3-14,24-25,32-35H2,1-2H3,(H,42,43).
What are the key properties of N-(2-heptoxy-3-trityloxypropyl)dodecanamide?
N-(2-heptoxy-3-trityloxypropyl)dodecanamide has a molecular weight of 613.93 g/mol, XLogP of 10.39, 25 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-heptoxy-3-trityloxypropyl)dodecanamide is sourced from PubChem (CID 11734758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).