N,N-bis(3-hydroxypropyl)icosanamide

C26H53NO3 — CID 102118836

IUPACN,N-bis(3-hydroxypropyl)icosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(=O)N(CCCO)CCCO
InChIInChI=1S/C26H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(30)27(22-19-24-28)23-20-25-29/h28-29H,2-25H2,1H3
InChIKeyOMAJPSWLNQJTIC-UHFFFAOYSA-N
MW427.71 g/mol
LogP6.62
Rot. Bonds24

About N,N-bis(3-hydroxypropyl)icosanamide

N,N-bis(3-hydroxypropyl)icosanamide (PubChem CID 102118836) has the molecular formula C26H53NO3 and a molecular weight of 427.71 g/mol. Its IUPAC name is N,N-bis(3-hydroxypropyl)icosanamide.

Molecular Properties

Compound NameN,N-bis(3-hydroxypropyl)icosanamide
PubChem CID102118836
Molecular FormulaC26H53NO3
Molecular Weight427.71 g/mol
Exact Mass427.40
IUPAC NameN,N-bis(3-hydroxypropyl)icosanamide
SMILESCCCCCCCCCCCCCCCCCCCC(=O)N(CCCO)CCCO
InChIInChI=1S/C26H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(30)27(22-19-24-28)23-20-25-29/h28-29H,2-25H2,1H3
InChIKeyOMAJPSWLNQJTIC-UHFFFAOYSA-N
XLogP6.62
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.71
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[hexadecanoyl(3-hydroxypropyl)amino]ethyl]-N-(3-hydroxypropyl)hexadecanamide
CID 18787706
N-ethyl-N-(3-hydroxypropyl)decanamide
CID 115771581
N-ethyl-N-(3-hydroxypropyl)heptanamide
CID 115771582
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide
CID 169189818
N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide
CID 168943837
4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide
CID 54874426
N-butyl-N-octyldecanamide
CID 18913402
N,N-di(undecyl)pentanamide
CID 532896
N,N-dipropylnonadecanamide
CID 12960009

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-hydroxypropyl)icosanamide?
The IUPAC name of N,N-bis(3-hydroxypropyl)icosanamide (CID 102118836) is N,N-bis(3-hydroxypropyl)icosanamide.
What is the SMILES notation for N,N-bis(3-hydroxypropyl)icosanamide?
The canonical SMILES for N,N-bis(3-hydroxypropyl)icosanamide is CCCCCCCCCCCCCCCCCCCC(=O)N(CCCO)CCCO.
What is the InChIKey of N,N-bis(3-hydroxypropyl)icosanamide?
The InChIKey is OMAJPSWLNQJTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26(30)27(22-19-24-28)23-20-25-29/h28-29H,2-25H2,1H3.
What are the key properties of N,N-bis(3-hydroxypropyl)icosanamide?
N,N-bis(3-hydroxypropyl)icosanamide has a molecular weight of 427.71 g/mol, XLogP of 6.62, 24 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-hydroxypropyl)icosanamide is sourced from PubChem (CID 102118836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).