2-cyclohexyl-12-hydroxyoctadecanamide

C24H47NO2 — CID 174957428

IUPAC2-cyclohexyl-12-hydroxyoctadecanamide
SMILESCCCCCCC(O)CCCCCCCCCC(C(N)=O)C1CCCCC1
InChIInChI=1S/C24H47NO2/c1-2-3-4-13-18-22(26)19-14-8-6-5-7-9-15-20-23(24(25)27)21-16-11-10-12-17-21/h21-23,26H,2-20H2,1H3,(H2,25,27)
InChIKeyWRIPVDVLNHHMCW-UHFFFAOYSA-N
MW381.65 g/mol
LogP6.51
Rot. Bonds17

About 2-cyclohexyl-12-hydroxyoctadecanamide

2-cyclohexyl-12-hydroxyoctadecanamide (PubChem CID 174957428) has the molecular formula C24H47NO2 and a molecular weight of 381.65 g/mol. Its IUPAC name is 2-cyclohexyl-12-hydroxyoctadecanamide.

Molecular Properties

Compound Name2-cyclohexyl-12-hydroxyoctadecanamide
PubChem CID174957428
Molecular FormulaC24H47NO2
Molecular Weight381.65 g/mol
Exact Mass381.36
IUPAC Name2-cyclohexyl-12-hydroxyoctadecanamide
SMILESCCCCCCC(O)CCCCCCCCCC(C(N)=O)C1CCCCC1
InChIInChI=1S/C24H47NO2/c1-2-3-4-13-18-22(26)19-14-8-6-5-7-9-15-20-23(24(25)27)21-16-11-10-12-17-21/h21-23,26H,2-20H2,1H3,(H2,25,27)
InChIKeyWRIPVDVLNHHMCW-UHFFFAOYSA-N
XLogP6.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 56.51
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

2-cyclohexyldecanoic acid
CID 19004831
2-cyclopentyltridecanoic acid
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1,2-dicyclohexylhexadecan-1-one
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2-(cyclohexylamino)octanamide
CID 54893908
(2S)-2-cyclobutylheptanoic acid
CID 99988049
1-cycloheptyloctan-2-ol
CID 115783533
1-cyclooctylundecan-1-ol
CID 80603651
2-cyclopropylnonanoic acid
CID 139682006
2-cyclopropylhexadecanoic acid
CID 67041212
1-cyclohexyldodecane-1,2-diol
CID 103459050
2-(cyclohexylmethyl)-4-hydroxyundecanehydrazide
CID 2832774
2-(cyclohexylcarbamoylamino)undecanamide
CID 69488334

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-12-hydroxyoctadecanamide?
The IUPAC name of 2-cyclohexyl-12-hydroxyoctadecanamide (CID 174957428) is 2-cyclohexyl-12-hydroxyoctadecanamide.
What is the SMILES notation for 2-cyclohexyl-12-hydroxyoctadecanamide?
The canonical SMILES for 2-cyclohexyl-12-hydroxyoctadecanamide is CCCCCCC(O)CCCCCCCCCC(C(N)=O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-12-hydroxyoctadecanamide?
The InChIKey is WRIPVDVLNHHMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO2/c1-2-3-4-13-18-22(26)19-14-8-6-5-7-9-15-20-23(24(25)27)21-16-11-10-12-17-21/h21-23,26H,2-20H2,1H3,(H2,25,27).
What are the key properties of 2-cyclohexyl-12-hydroxyoctadecanamide?
2-cyclohexyl-12-hydroxyoctadecanamide has a molecular weight of 381.65 g/mol, XLogP of 6.51, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-12-hydroxyoctadecanamide is sourced from PubChem (CID 174957428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).