N-(1-hydroxy-2-methylpropan-2-yl)octadecanamide

C22H45NO2 — CID 13410460

IUPACN-(1-hydroxy-2-methylpropan-2-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(C)(C)CO
InChIInChI=1S/C22H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)23-22(2,3)20-24/h24H,4-20H2,1-3H3,(H,23,25)
InChIKeyGTDHYNXLIKNVTJ-UHFFFAOYSA-N
MW355.61 g/mol
LogP6.14
Rot. Bonds18

About N-(1-hydroxy-2-methylpropan-2-yl)octadecanamide

N-(1-hydroxy-2-methylpropan-2-yl)octadecanamide (PubChem CID 13410460) has the molecular formula C22H45NO2 and a molecular weight of 355.61 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)octadecanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)octadecanamide
PubChem CID13410460
Molecular FormulaC22H45NO2
Molecular Weight355.61 g/mol
Exact Mass355.35
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(C)(C)CO
InChIInChI=1S/C22H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)23-22(2,3)20-24/h24H,4-20H2,1-3H3,(H,23,25)
InChIKeyGTDHYNXLIKNVTJ-UHFFFAOYSA-N
XLogP6.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 56.14
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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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)octadecanamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)octadecanamide (CID 13410460) is N-(1-hydroxy-2-methylpropan-2-yl)octadecanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)octadecanamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)octadecanamide?
The InChIKey is GTDHYNXLIKNVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)23-22(2,3)20-24/h24H,4-20H2,1-3H3,(H,23,25).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)octadecanamide?
N-(1-hydroxy-2-methylpropan-2-yl)octadecanamide has a molecular weight of 355.61 g/mol, XLogP of 6.14, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)octadecanamide is sourced from PubChem (CID 13410460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).