Ricinoleic diethanolamide

C22H43NO4 — CID 6441625

IUPAC(Z,12R)-12-hydroxy-N,N-bis(2-hydroxyethyl)octadec-9-enamide
SMILESCCCCCC[C@H](C/C=C\CCCCCCCC(=O)N(CCO)CCO)O
InChIInChI=1S/C22H43NO4/c1-2-3-4-11-14-21(26)15-12-9-7-5-6-8-10-13-16-22(27)23(17-19-24)18-20-25/h9,12,21,24-26H,2-8,10-11,13-20H2,1H3/b12-9-/t21-/m1/s1
InChIKeyPDVQCPFKYPYROG-ZDKIGPTLSA-N
MW385.60 g/mol
LogP4.30
Rot. Bonds19

About Ricinoleic diethanolamide

Ricinoleic diethanolamide (PubChem CID 6441625) has the molecular formula C22H43NO4 and a molecular weight of 385.60 g/mol. Its IUPAC name is (Z,12R)-12-hydroxy-N,N-bis(2-hydroxyethyl)octadec-9-enamide.

Molecular Properties

Compound NameRicinoleic diethanolamide
PubChem CID6441625
Molecular FormulaC22H43NO4
Molecular Weight385.60 g/mol
Exact Mass385.32
IUPAC Name(Z,12R)-12-hydroxy-N,N-bis(2-hydroxyethyl)octadec-9-enamide
SMILESCCCCCC[C@H](C/C=C\CCCCCCCC(=O)N(CCO)CCO)O
InChIInChI=1S/C22H43NO4/c1-2-3-4-11-14-21(26)15-12-9-7-5-6-8-10-13-16-22(27)23(17-19-24)18-20-25/h9,12,21,24-26H,2-8,10-11,13-20H2,1H3/b12-9-/t21-/m1/s1
InChIKeyPDVQCPFKYPYROG-ZDKIGPTLSA-N
XLogP4.30
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms27
Complexity354

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Oleic acid diethanolamide
CID 5371728
(9Z,12Z)-N,N-Bis(2-hydroxyethyl)octadeca-9,12-dien-1-amide
CID 9976267
N-(15Z-tetracosenoyl)-sphinganine
CID 5283576
N-(9Z-octadecenoyl)-sphinganine
CID 6442676
Ricinoleamide MEA
CID 20838731
9-Octadecenamide, N-[2-hydroxy-1-(hydroxymethyl)heptadecyl]-, (9Z)-
CID 6442401
Ricinoleamidopropyl Dimethylamine
CID 6436523
Ricinoleamidopropyl Betaine
CID 76969851
Ricinoleamidopropyltrimonium methosulfate
CID 56842391
Cer(d18:0/26:1(17Z))
CID 5283578
N,N-bis(2-hydroxyethyl)octadeca-9,12-dienamide
CID 42017
Cer(d18:0/18:1(11Z))
CID 53481047

Frequently Asked Questions

What is the IUPAC name of Ricinoleic diethanolamide?
The IUPAC name of Ricinoleic diethanolamide (CID 6441625) is (Z,12R)-12-hydroxy-N,N-bis(2-hydroxyethyl)octadec-9-enamide.
What is the SMILES notation for Ricinoleic diethanolamide?
The canonical SMILES for Ricinoleic diethanolamide is CCCCCC[C@H](C/C=C\CCCCCCCC(=O)N(CCO)CCO)O.
What is the InChIKey of Ricinoleic diethanolamide?
The InChIKey is PDVQCPFKYPYROG-ZDKIGPTLSA-N. The full InChI is InChI=1S/C22H43NO4/c1-2-3-4-11-14-21(26)15-12-9-7-5-6-8-10-13-16-22(27)23(17-19-24)18-20-25/h9,12,21,24-26H,2-8,10-11,13-20H2,1H3/b12-9-/t21-/m1/s1.
What are the key properties of Ricinoleic diethanolamide?
Ricinoleic diethanolamide has a molecular weight of 385.60 g/mol, XLogP of 4.30, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Ricinoleic diethanolamide is sourced from PubChem (CID 6441625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).