N-(2-ethoxy-3-trityloxypropyl)octadecanamide

C42H61NO3 — CID 14017639

IUPACN-(2-ethoxy-3-trityloxypropyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC
InChIInChI=1S/C42H61NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-27-34-41(44)43-35-40(45-4-2)36-46-42(37-28-21-18-22-29-37,38-30-23-19-24-31-38)39-32-25-20-26-33-39/h18-26,28-33,40H,3-17,27,34-36H2,1-2H3,(H,43,44)
InChIKeyLVCBPYUJLDQSPA-UHFFFAOYSA-N
MW627.95 g/mol
LogP10.78
Rot. Bonds26

About N-(2-ethoxy-3-trityloxypropyl)octadecanamide

N-(2-ethoxy-3-trityloxypropyl)octadecanamide (PubChem CID 14017639) has the molecular formula C42H61NO3 and a molecular weight of 627.95 g/mol. Its IUPAC name is N-(2-ethoxy-3-trityloxypropyl)octadecanamide.

Molecular Properties

Compound NameN-(2-ethoxy-3-trityloxypropyl)octadecanamide
PubChem CID14017639
Molecular FormulaC42H61NO3
Molecular Weight627.95 g/mol
Exact Mass627.47
IUPAC NameN-(2-ethoxy-3-trityloxypropyl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC
InChIInChI=1S/C42H61NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-27-34-41(44)43-35-40(45-4-2)36-46-42(37-28-21-18-22-29-37,38-30-23-19-24-31-38)39-32-25-20-26-33-39/h18-26,28-33,40H,3-17,27,34-36H2,1-2H3,(H,43,44)
InChIKeyLVCBPYUJLDQSPA-UHFFFAOYSA-N
XLogP10.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.95
LogP ≤ 510.78
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

Carbiphene
CID 10080
N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide
CID 2870138
N-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
Benzyl [(diphenylacetyl)amino]acetate
CID 1100660
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-(4-fluoro-phenyl)-acetamide
CID 9980795
N-(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-propyl)-2-phenyl-acetamide
CID 10575012
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-phenyl-acetamide
CID 10788455
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylpropanamide
CID 2969719
(S)-(+)-5-(Trityloxymethyl)-2-pyrrolidinone
CID 2733644
N-Acetyl-N-desmethyldiphenhydramine
CID 86155091
Benzhydryl 2-[(2-phenylacetyl)amino]acetate
CID 1310474

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-3-trityloxypropyl)octadecanamide?
The IUPAC name of N-(2-ethoxy-3-trityloxypropyl)octadecanamide (CID 14017639) is N-(2-ethoxy-3-trityloxypropyl)octadecanamide.
What is the SMILES notation for N-(2-ethoxy-3-trityloxypropyl)octadecanamide?
The canonical SMILES for N-(2-ethoxy-3-trityloxypropyl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC.
What is the InChIKey of N-(2-ethoxy-3-trityloxypropyl)octadecanamide?
The InChIKey is LVCBPYUJLDQSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H61NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-27-34-41(44)43-35-40(45-4-2)36-46-42(37-28-21-18-22-29-37,38-30-23-19-24-31-38)39-32-25-20-26-33-39/h18-26,28-33,40H,3-17,27,34-36H2,1-2H3,(H,43,44).
What are the key properties of N-(2-ethoxy-3-trityloxypropyl)octadecanamide?
N-(2-ethoxy-3-trityloxypropyl)octadecanamide has a molecular weight of 627.95 g/mol, XLogP of 10.78, 26 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-3-trityloxypropyl)octadecanamide is sourced from PubChem (CID 14017639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).