N-pentacosylformamide

C26H53NO — CID 88723962

IUPACN-pentacosylformamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCNC=O
InChIInChI=1S/C26H53NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-26-28/h26H,2-25H2,1H3,(H,27,28)
InChIKeyLWCDAQUGRYMZNH-UHFFFAOYSA-N
MW395.72 g/mol
LogP8.72
Rot. Bonds25

About N-pentacosylformamide

N-pentacosylformamide (PubChem CID 88723962) has the molecular formula C26H53NO and a molecular weight of 395.72 g/mol. Its IUPAC name is N-pentacosylformamide.

Molecular Properties

Compound NameN-pentacosylformamide
PubChem CID88723962
Molecular FormulaC26H53NO
Molecular Weight395.72 g/mol
Exact Mass395.41
IUPAC NameN-pentacosylformamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCNC=O
InChIInChI=1S/C26H53NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-26-28/h26H,2-25H2,1H3,(H,27,28)
InChIKeyLWCDAQUGRYMZNH-UHFFFAOYSA-N
XLogP8.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 58.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-tetracosylformamide
CID 54077607
ethane;N-pentylformamide
CID 145350301
N-[(Z)-octadec-9-enyl]formamide;trihydrochloride
CID 174550663
N-(5-heptyltridecyl)formamide
CID 166649045
N-(4-butyldecyl)formamide
CID 166649158
N-butylformamide;prop-1-yne
CID 88728632
(2S)-2-aminopropanoic acid;N-octylformamide
CID 87695548
N-[2-[hexyl(methyl)amino]ethyl]formamide
CID 54347817
N-(3,3-didecoxypropyl)formamide
CID 57283019
N-ethenyltetradecan-1-amine
CID 175788828
octane;N-octylnonan-1-amine
CID 145152206
N-hexyltridecan-1-amine
CID 87659278

Frequently Asked Questions

What is the IUPAC name of N-pentacosylformamide?
The IUPAC name of N-pentacosylformamide (CID 88723962) is N-pentacosylformamide.
What is the SMILES notation for N-pentacosylformamide?
The canonical SMILES for N-pentacosylformamide is CCCCCCCCCCCCCCCCCCCCCCCCCNC=O.
What is the InChIKey of N-pentacosylformamide?
The InChIKey is LWCDAQUGRYMZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-26-28/h26H,2-25H2,1H3,(H,27,28).
What are the key properties of N-pentacosylformamide?
N-pentacosylformamide has a molecular weight of 395.72 g/mol, XLogP of 8.72, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentacosylformamide is sourced from PubChem (CID 88723962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).