20-(diethylamino)icosyl formate

C25H51NO2 — CID 87852007

IUPAC20-(diethylamino)icosyl formate
SMILESCCN(CC)CCCCCCCCCCCCCCCCCCCCOC=O
InChIInChI=1S/C25H51NO2/c1-3-26(4-2)23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-28-25-27/h25H,3-24H2,1-2H3
InChIKeyZPYHTMYMJYZWFV-UHFFFAOYSA-N
MW397.69 g/mol
LogP7.52
Rot. Bonds24

About 20-(diethylamino)icosyl formate

20-(diethylamino)icosyl formate (PubChem CID 87852007) has the molecular formula C25H51NO2 and a molecular weight of 397.69 g/mol. Its IUPAC name is 20-(diethylamino)icosyl formate.

Molecular Properties

Compound Name20-(diethylamino)icosyl formate
PubChem CID87852007
Molecular FormulaC25H51NO2
Molecular Weight397.69 g/mol
Exact Mass397.39
IUPAC Name20-(diethylamino)icosyl formate
SMILESCCN(CC)CCCCCCCCCCCCCCCCCCCCOC=O
InChIInChI=1S/C25H51NO2/c1-3-26(4-2)23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-28-25-27/h25H,3-24H2,1-2H3
InChIKeyZPYHTMYMJYZWFV-UHFFFAOYSA-N
XLogP7.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.69
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

19-(diethylamino)nonadecyl formate
CID 87851471
16-(diethylamino)hexadecyl formate
CID 87852321
12-(diethylamino)dodecyl formate
CID 87851573
13-[butyl(ethyl)amino]tridecyl formate
CID 87852279
6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate
CID 170071479
hexacosyl formate
CID 87446465
20-[20-(diethylamino)icosoxy]-N,N-diethylicosan-1-amine
CID 87698049
CID 162323226
CID 162323226
decyl formate;hydrochloride
CID 174405844
5-[ethyl(5-pentadecan-7-yloxycarbonyloxypentyl)amino]pentyl formate
CID 170224824
bis[6-(diethylamino)hexyl] carbonate
CID 54452513
nonyl 8-[7-formyloxyheptyl(2-hydroxyethyl)amino]octanoate
CID 146475396

Frequently Asked Questions

What is the IUPAC name of 20-(diethylamino)icosyl formate?
The IUPAC name of 20-(diethylamino)icosyl formate (CID 87852007) is 20-(diethylamino)icosyl formate.
What is the SMILES notation for 20-(diethylamino)icosyl formate?
The canonical SMILES for 20-(diethylamino)icosyl formate is CCN(CC)CCCCCCCCCCCCCCCCCCCCOC=O.
What is the InChIKey of 20-(diethylamino)icosyl formate?
The InChIKey is ZPYHTMYMJYZWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51NO2/c1-3-26(4-2)23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-28-25-27/h25H,3-24H2,1-2H3.
What are the key properties of 20-(diethylamino)icosyl formate?
20-(diethylamino)icosyl formate has a molecular weight of 397.69 g/mol, XLogP of 7.52, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(diethylamino)icosyl formate is sourced from PubChem (CID 87852007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).