N'-icosylbutanediamide

C24H48N2O2 — CID 175408923

IUPACN'-icosylbutanediamide
SMILESCCCCCCCCCCCCCCCCCCCCNC(=O)CCC(N)=O
InChIInChI=1S/C24H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-24(28)21-20-23(25)27/h2-22H2,1H3,(H2,25,27)(H,26,28)
InChIKeyJKNOEEJXWDZDMU-UHFFFAOYSA-N
MW396.66 g/mol
LogP6.41
Rot. Bonds22

About N'-icosylbutanediamide

N'-icosylbutanediamide (PubChem CID 175408923) has the molecular formula C24H48N2O2 and a molecular weight of 396.66 g/mol. Its IUPAC name is N'-icosylbutanediamide.

Molecular Properties

Compound NameN'-icosylbutanediamide
PubChem CID175408923
Molecular FormulaC24H48N2O2
Molecular Weight396.66 g/mol
Exact Mass396.37
IUPAC NameN'-icosylbutanediamide
SMILESCCCCCCCCCCCCCCCCCCCCNC(=O)CCC(N)=O
InChIInChI=1S/C24H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-24(28)21-20-23(25)27/h2-22H2,1H3,(H2,25,27)(H,26,28)
InChIKeyJKNOEEJXWDZDMU-UHFFFAOYSA-N
XLogP6.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-dodecylbutanediamide
CID 19973702
disodium;hydride;N'-octadecylbutanediamide
CID 175169535
N'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
22-(docosanoylamino)docosanamide
CID 90926402
N'-octylhexanediamide
CID 18377759
N'-butylbutanediamide
CID 12550556
N'-heptylundecanediamide;propanoic acid
CID 175230905
N-(3-amino-3-oxopropyl)octadecanamide
CID 57257667
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729

Frequently Asked Questions

What is the IUPAC name of N'-icosylbutanediamide?
The IUPAC name of N'-icosylbutanediamide (CID 175408923) is N'-icosylbutanediamide.
What is the SMILES notation for N'-icosylbutanediamide?
The canonical SMILES for N'-icosylbutanediamide is CCCCCCCCCCCCCCCCCCCCNC(=O)CCC(N)=O.
What is the InChIKey of N'-icosylbutanediamide?
The InChIKey is JKNOEEJXWDZDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-24(28)21-20-23(25)27/h2-22H2,1H3,(H2,25,27)(H,26,28).
What are the key properties of N'-icosylbutanediamide?
N'-icosylbutanediamide has a molecular weight of 396.66 g/mol, XLogP of 6.41, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-icosylbutanediamide is sourced from PubChem (CID 175408923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).