N-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide

C18H35NO3 — CID 135067414

IUPACN-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide
SMILESCCCCCCCC(O)CC(CO)C(=O)NC1CCCCC1
InChIInChI=1S/C18H35NO3/c1-2-3-4-5-9-12-17(21)13-15(14-20)18(22)19-16-10-7-6-8-11-16/h15-17,20-21H,2-14H2,1H3,(H,19,22)
InChIKeyFRISXJSMADJIDY-UHFFFAOYSA-N
MW313.48 g/mol
LogP3.16
Rot. Bonds11

About N-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide

N-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide (PubChem CID 135067414) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is N-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide
PubChem CID135067414
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC NameN-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide
SMILESCCCCCCCC(O)CC(CO)C(=O)NC1CCCCC1
InChIInChI=1S/C18H35NO3/c1-2-3-4-5-9-12-17(21)13-15(14-20)18(22)19-16-10-7-6-8-11-16/h15-17,20-21H,2-14H2,1H3,(H,19,22)
InChIKeyFRISXJSMADJIDY-UHFFFAOYSA-N
XLogP3.16
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 53.16
H-Bond Donors ≤ 53
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 N-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide?
The IUPAC name of N-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide (CID 135067414) is N-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide.
What is the SMILES notation for N-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide?
The canonical SMILES for N-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide is CCCCCCCC(O)CC(CO)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide?
The InChIKey is FRISXJSMADJIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-2-3-4-5-9-12-17(21)13-15(14-20)18(22)19-16-10-7-6-8-11-16/h15-17,20-21H,2-14H2,1H3,(H,19,22).
What are the key properties of N-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide?
N-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide has a molecular weight of 313.48 g/mol, XLogP of 3.16, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-hydroxy-2-(hydroxymethyl)undecanamide is sourced from PubChem (CID 135067414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).