N-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide

C63H95NO4 — CID 19982436

IUPACN-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCCOCC(CN(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCCCCCCCC)OCc1ccccc1
InChIInChI=1S/C63H95NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-52-66-56-61(67-55-57-42-32-28-33-43-57)54-64(62(65)50-40-26-24-22-20-18-16-14-12-10-8-6-4-2)51-53-68-63(58-44-34-29-35-45-58,59-46-36-30-37-47-59)60-48-38-31-39-49-60/h28-39,42-49,61H,3-27,40-41,50-56H2,1-2H3
InChIKeySVGQSECZNMSQLI-UHFFFAOYSA-N
MW930.46 g/mol
LogP17.39
Rot. Bonds43

About N-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide

N-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide (PubChem CID 19982436) has the molecular formula C63H95NO4 and a molecular weight of 930.46 g/mol. Its IUPAC name is N-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide.

Molecular Properties

Compound NameN-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide
PubChem CID19982436
Molecular FormulaC63H95NO4
Molecular Weight930.46 g/mol
Exact Mass929.73
IUPAC NameN-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCCOCC(CN(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCCCCCCCC)OCc1ccccc1
InChIInChI=1S/C63H95NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-52-66-56-61(67-55-57-42-32-28-33-43-57)54-64(62(65)50-40-26-24-22-20-18-16-14-12-10-8-6-4-2)51-53-68-63(58-44-34-29-35-45-58,59-46-36-30-37-47-59)60-48-38-31-39-49-60/h28-39,42-49,61H,3-27,40-41,50-56H2,1-2H3
InChIKeySVGQSECZNMSQLI-UHFFFAOYSA-N
XLogP17.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds43
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.46
LogP ≤ 517.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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CID 10080
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Acetic acid, phenyl-, alpha-((N-cyclohexyl-N-(phenylacetamido))methyl)benzyl ester
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N,N-diethyl-2,2,4,4-tetra-phenyloxetane-3-carboxamide
CID 12086192
(2R)-2-[hydroxy(diphenyl)methyl]-4-methyl-2-phenylmorpholin-3-one
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3-Methyl-2-phenyl-1-[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]butan-1-one
CID 46100202
1-[2-[(2-Fluorophenyl)methoxymethyl]morpholin-4-yl]-3-methyl-2-phenylbutan-1-one
CID 132469116
1-[2-[(2,6-Dimethylphenyl)methoxymethyl]morpholin-4-yl]-2-(3-fluorophenyl)ethanone
CID 67989159
(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone
CID 157038884
[4-(1,1-Difluoroethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone
CID 157038953
[4-(Trifluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone
CID 157039009
[4-(Difluoromethyl)cyclohexyl]-[3,4,5-tris(phenylmethoxy)piperidin-1-yl]methanone
CID 157039212

Frequently Asked Questions

What is the IUPAC name of N-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide?
The IUPAC name of N-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide (CID 19982436) is N-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide.
What is the SMILES notation for N-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide?
The canonical SMILES for N-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide is CCCCCCCCCCCCCCCCOCC(CN(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)CCCCCCCCCCCCCCC)OCc1ccccc1.
What is the InChIKey of N-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide?
The InChIKey is SVGQSECZNMSQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H95NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-52-66-56-61(67-55-57-42-32-28-33-43-57)54-64(62(65)50-40-26-24-22-20-18-16-14-12-10-8-6-4-2)51-53-68-63(58-44-34-29-35-45-58,59-46-36-30-37-47-59)60-48-38-31-39-49-60/h28-39,42-49,61H,3-27,40-41,50-56H2,1-2H3.
What are the key properties of N-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide?
N-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide has a molecular weight of 930.46 g/mol, XLogP of 17.39, 43 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide is sourced from PubChem (CID 19982436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).