N-dodecyl-12-hydroxyoctadecanamide

C30H61NO2 — CID 175547056

IUPACN-dodecyl-12-hydroxyoctadecanamide
SMILESCCCCCCCCCCCCNC(=O)CCCCCCCCCCC(O)CCCCCC
InChIInChI=1S/C30H61NO2/c1-3-5-7-9-10-11-14-17-20-24-28-31-30(33)27-23-19-16-13-12-15-18-22-26-29(32)25-21-8-6-4-2/h29,32H,3-28H2,1-2H3,(H,31,33)
InChIKeyCXCCBCNFTOVQSL-UHFFFAOYSA-N
MW467.82 g/mol
LogP9.26
Rot. Bonds27

About N-dodecyl-12-hydroxyoctadecanamide

N-dodecyl-12-hydroxyoctadecanamide (PubChem CID 175547056) has the molecular formula C30H61NO2 and a molecular weight of 467.82 g/mol. Its IUPAC name is N-dodecyl-12-hydroxyoctadecanamide.

Molecular Properties

Compound NameN-dodecyl-12-hydroxyoctadecanamide
PubChem CID175547056
Molecular FormulaC30H61NO2
Molecular Weight467.82 g/mol
Exact Mass467.47
IUPAC NameN-dodecyl-12-hydroxyoctadecanamide
SMILESCCCCCCCCCCCCNC(=O)CCCCCCCCCCC(O)CCCCCC
InChIInChI=1S/C30H61NO2/c1-3-5-7-9-10-11-14-17-20-24-28-31-30(33)27-23-19-16-13-12-15-18-22-26-29(32)25-21-8-6-4-2/h29,32H,3-28H2,1-2H3,(H,31,33)
InChIKeyCXCCBCNFTOVQSL-UHFFFAOYSA-N
XLogP9.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.82
LogP ≤ 59.26
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-dodecyl-12-hydroxyoctadecanamide?
The IUPAC name of N-dodecyl-12-hydroxyoctadecanamide (CID 175547056) is N-dodecyl-12-hydroxyoctadecanamide.
What is the SMILES notation for N-dodecyl-12-hydroxyoctadecanamide?
The canonical SMILES for N-dodecyl-12-hydroxyoctadecanamide is CCCCCCCCCCCCNC(=O)CCCCCCCCCCC(O)CCCCCC.
What is the InChIKey of N-dodecyl-12-hydroxyoctadecanamide?
The InChIKey is CXCCBCNFTOVQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61NO2/c1-3-5-7-9-10-11-14-17-20-24-28-31-30(33)27-23-19-16-13-12-15-18-22-26-29(32)25-21-8-6-4-2/h29,32H,3-28H2,1-2H3,(H,31,33).
What are the key properties of N-dodecyl-12-hydroxyoctadecanamide?
N-dodecyl-12-hydroxyoctadecanamide has a molecular weight of 467.82 g/mol, XLogP of 9.26, 27 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-12-hydroxyoctadecanamide is sourced from PubChem (CID 175547056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).