N-(2-hydroxypropan-2-yl)dodecanamide

C15H31NO2 — CID 8889

IUPACN-(2-hydroxypropan-2-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(C)(C)O
InChIInChI=1S/C15H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14(17)16-15(2,3)18/h18H,4-13H2,1-3H3,(H,16,17)
InChIKeyJHBUNKKNHQVQFT-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.75
Rot. Bonds11

About N-(2-hydroxypropan-2-yl)dodecanamide

N-(2-hydroxypropan-2-yl)dodecanamide (PubChem CID 8889) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(2-hydroxypropan-2-yl)dodecanamide.

Molecular Properties

Compound NameN-(2-hydroxypropan-2-yl)dodecanamide
PubChem CID8889
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-(2-hydroxypropan-2-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(C)(C)O
InChIInChI=1S/C15H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14(17)16-15(2,3)18/h18H,4-13H2,1-3H3,(H,16,17)
InChIKeyJHBUNKKNHQVQFT-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropan-2-yl)dodecanamide?
The IUPAC name of N-(2-hydroxypropan-2-yl)dodecanamide (CID 8889) is N-(2-hydroxypropan-2-yl)dodecanamide.
What is the SMILES notation for N-(2-hydroxypropan-2-yl)dodecanamide?
The canonical SMILES for N-(2-hydroxypropan-2-yl)dodecanamide is CCCCCCCCCCCC(=O)NC(C)(C)O.
What is the InChIKey of N-(2-hydroxypropan-2-yl)dodecanamide?
The InChIKey is JHBUNKKNHQVQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14(17)16-15(2,3)18/h18H,4-13H2,1-3H3,(H,16,17).
What are the key properties of N-(2-hydroxypropan-2-yl)dodecanamide?
N-(2-hydroxypropan-2-yl)dodecanamide has a molecular weight of 257.42 g/mol, XLogP of 3.75, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropan-2-yl)dodecanamide is sourced from PubChem (CID 8889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).