2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate

C30H65NO4 — CID 87317133

IUPAC2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CO.O.O
InChIInChI=1S/C30H61NO2.2H2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(30(33)29-32)28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h32H,3-29H2,1-2H3;2*1H2
InChIKeyOHQVAMVVEAJRBH-UHFFFAOYSA-N
MW503.85 g/mol
LogP7.56
Rot. Bonds27

About 2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate

2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate (PubChem CID 87317133) has the molecular formula C30H65NO4 and a molecular weight of 503.85 g/mol. Its IUPAC name is 2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate.

Molecular Properties

Compound Name2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate
PubChem CID87317133
Molecular FormulaC30H65NO4
Molecular Weight503.85 g/mol
Exact Mass503.49
IUPAC Name2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CO.O.O
InChIInChI=1S/C30H61NO2.2H2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(30(33)29-32)28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h32H,3-29H2,1-2H3;2*1H2
InChIKeyOHQVAMVVEAJRBH-UHFFFAOYSA-N
XLogP7.56
TPSA103.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.85
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(undecyl)pentanamide
CID 532896
N,N-dioctyltetradecanamide
CID 169083302
2-chloro-N,N-di(nonyl)acetamide
CID 533173
N-butyl-N-octyldecanamide
CID 18913402
2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
CID 71346769
N,N,N',N'-tetrahexyloxamide
CID 6424911
3-sulfanyl-N,N-di(tetradecyl)propanamide
CID 10791452

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate?
The IUPAC name of 2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate (CID 87317133) is 2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate.
What is the SMILES notation for 2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate?
The canonical SMILES for 2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate is CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CO.O.O.
What is the InChIKey of 2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate?
The InChIKey is OHQVAMVVEAJRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61NO2.2H2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(30(33)29-32)28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h32H,3-29H2,1-2H3;2*1H2.
What are the key properties of 2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate?
2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate has a molecular weight of 503.85 g/mol, XLogP of 7.56, 27 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate is sourced from PubChem (CID 87317133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).