2-cyclohexyl-N-(3-hydroxypropyl)acetamide

C11H21NO2 — CID 43390121

IUPAC2-cyclohexyl-N-(3-hydroxypropyl)acetamide
SMILESO=C(CC1CCCCC1)NCCCO
InChIInChI=1S/C11H21NO2/c13-8-4-7-12-11(14)9-10-5-2-1-3-6-10/h10,13H,1-9H2,(H,12,14)
InChIKeyYJDIHIFTKVYGJM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.46
Rot. Bonds5

About 2-cyclohexyl-N-(3-hydroxypropyl)acetamide

2-cyclohexyl-N-(3-hydroxypropyl)acetamide (PubChem CID 43390121) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-hydroxypropyl)acetamide
PubChem CID43390121
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-cyclohexyl-N-(3-hydroxypropyl)acetamide
SMILESO=C(CC1CCCCC1)NCCCO
InChIInChI=1S/C11H21NO2/c13-8-4-7-12-11(14)9-10-5-2-1-3-6-10/h10,13H,1-9H2,(H,12,14)
InChIKeyYJDIHIFTKVYGJM-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.46
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 2-cyclohexyl-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(3-hydroxypropyl)acetamide (CID 43390121) is 2-cyclohexyl-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(3-hydroxypropyl)acetamide is O=C(CC1CCCCC1)NCCCO.
What is the InChIKey of 2-cyclohexyl-N-(3-hydroxypropyl)acetamide?
The InChIKey is YJDIHIFTKVYGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c13-8-4-7-12-11(14)9-10-5-2-1-3-6-10/h10,13H,1-9H2,(H,12,14).
What are the key properties of 2-cyclohexyl-N-(3-hydroxypropyl)acetamide?
2-cyclohexyl-N-(3-hydroxypropyl)acetamide has a molecular weight of 199.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 43390121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).