2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide

C13H26N2O3 — CID 174426848

IUPAC2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide
SMILESCCCCCNC(=O)N(CCCCC)C(=O)CO
InChIInChI=1S/C13H26N2O3/c1-3-5-7-9-14-13(18)15(12(17)11-16)10-8-6-4-2/h16H,3-11H2,1-2H3,(H,14,18)
InChIKeyLWBUJPVOGUJSPV-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.90
Rot. Bonds9

About 2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide

2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide (PubChem CID 174426848) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide
PubChem CID174426848
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide
SMILESCCCCCNC(=O)N(CCCCC)C(=O)CO
InChIInChI=1S/C13H26N2O3/c1-3-5-7-9-14-13(18)15(12(17)11-16)10-8-6-4-2/h16H,3-11H2,1-2H3,(H,14,18)
InChIKeyLWBUJPVOGUJSPV-UHFFFAOYSA-N
XLogP1.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide?
The IUPAC name of 2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide (CID 174426848) is 2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide.
What is the SMILES notation for 2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide?
The canonical SMILES for 2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide is CCCCCNC(=O)N(CCCCC)C(=O)CO.
What is the InChIKey of 2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide?
The InChIKey is LWBUJPVOGUJSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-5-7-9-14-13(18)15(12(17)11-16)10-8-6-4-2/h16H,3-11H2,1-2H3,(H,14,18).
What are the key properties of 2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide?
2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-pentyl-N-(pentylcarbamoyl)acetamide is sourced from PubChem (CID 174426848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).