N-(3-hydroxyundecan-2-yl)acetamide

C13H27NO2 — CID 163035977

IUPACN-(3-hydroxyundecan-2-yl)acetamide
SMILESCCCCCCCCC(O)C(C)NC(C)=O
InChIInChI=1S/C13H27NO2/c1-4-5-6-7-8-9-10-13(16)11(2)14-12(3)15/h11,13,16H,4-10H2,1-3H3,(H,14,15)
InChIKeyALYVSRVEIXQWJX-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.62
Rot. Bonds9

About N-(3-hydroxyundecan-2-yl)acetamide

N-(3-hydroxyundecan-2-yl)acetamide (PubChem CID 163035977) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(3-hydroxyundecan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxyundecan-2-yl)acetamide
PubChem CID163035977
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(3-hydroxyundecan-2-yl)acetamide
SMILESCCCCCCCCC(O)C(C)NC(C)=O
InChIInChI=1S/C13H27NO2/c1-4-5-6-7-8-9-10-13(16)11(2)14-12(3)15/h11,13,16H,4-10H2,1-3H3,(H,14,15)
InChIKeyALYVSRVEIXQWJX-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.62
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-(3-hydroxyundecan-2-yl)acetamide?
The IUPAC name of N-(3-hydroxyundecan-2-yl)acetamide (CID 163035977) is N-(3-hydroxyundecan-2-yl)acetamide.
What is the SMILES notation for N-(3-hydroxyundecan-2-yl)acetamide?
The canonical SMILES for N-(3-hydroxyundecan-2-yl)acetamide is CCCCCCCCC(O)C(C)NC(C)=O.
What is the InChIKey of N-(3-hydroxyundecan-2-yl)acetamide?
The InChIKey is ALYVSRVEIXQWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-5-6-7-8-9-10-13(16)11(2)14-12(3)15/h11,13,16H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N-(3-hydroxyundecan-2-yl)acetamide?
N-(3-hydroxyundecan-2-yl)acetamide has a molecular weight of 229.36 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyundecan-2-yl)acetamide is sourced from PubChem (CID 163035977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).