4-cyclohexyl-N-(3-hydroxypropyl)butanamide

C13H25NO2 — CID 43390100

IUPAC4-cyclohexyl-N-(3-hydroxypropyl)butanamide
SMILESO=C(CCCC1CCCCC1)NCCCO
InChIInChI=1S/C13H25NO2/c15-11-5-10-14-13(16)9-4-8-12-6-2-1-3-7-12/h12,15H,1-11H2,(H,14,16)
InChIKeyBHTFHHBILLVDPS-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.24
Rot. Bonds7

About 4-cyclohexyl-N-(3-hydroxypropyl)butanamide

4-cyclohexyl-N-(3-hydroxypropyl)butanamide (PubChem CID 43390100) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-cyclohexyl-N-(3-hydroxypropyl)butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(3-hydroxypropyl)butanamide
PubChem CID43390100
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-cyclohexyl-N-(3-hydroxypropyl)butanamide
SMILESO=C(CCCC1CCCCC1)NCCCO
InChIInChI=1S/C13H25NO2/c15-11-5-10-14-13(16)9-4-8-12-6-2-1-3-7-12/h12,15H,1-11H2,(H,14,16)
InChIKeyBHTFHHBILLVDPS-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.24
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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Related Compounds

N-(3-butoxypropyl)cyclohexanecarboxamide
CID 2289748
N-(3-hydroxypropyl)cyclohexanecarboxamide
CID 24285039
Adamantane-1-carboxylic acid (3-hydroxy-propyl)-amide
CID 1933432
2-(cyclohexylcarbonylamino)-N-(3-hydroxypropyl)acetamide
CID 2917910
2-cyclohexyl-N-(3-hydroxypropyl)acetamide
CID 43390121
5-cyclohexyl-N-(3-hydroxypropyl)pentanamide
CID 172463524
3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 803724
3-cyclohexyl-N-propylpropanamide
CID 4451812
N-butyl-3-cyclohexylpropanamide
CID 1756824
4-cyclohexyl-N-(2-hydroxyethyl)butanamide
CID 43389022
n-(2-Hydroxyethyl)cyclohexanecarboxamide
CID 251403
Dodecanamide, N-(3-hydroxypropyl)-
CID 9903248

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(3-hydroxypropyl)butanamide?
The IUPAC name of 4-cyclohexyl-N-(3-hydroxypropyl)butanamide (CID 43390100) is 4-cyclohexyl-N-(3-hydroxypropyl)butanamide.
What is the SMILES notation for 4-cyclohexyl-N-(3-hydroxypropyl)butanamide?
The canonical SMILES for 4-cyclohexyl-N-(3-hydroxypropyl)butanamide is O=C(CCCC1CCCCC1)NCCCO.
What is the InChIKey of 4-cyclohexyl-N-(3-hydroxypropyl)butanamide?
The InChIKey is BHTFHHBILLVDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c15-11-5-10-14-13(16)9-4-8-12-6-2-1-3-7-12/h12,15H,1-11H2,(H,14,16).
What are the key properties of 4-cyclohexyl-N-(3-hydroxypropyl)butanamide?
4-cyclohexyl-N-(3-hydroxypropyl)butanamide has a molecular weight of 227.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(3-hydroxypropyl)butanamide is sourced from PubChem (CID 43390100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).