19-(dimethylamino)-6,13-dihydroxynonadeca-7,11-dienamide

C21H40N2O3 — CID 173413394

IUPAC19-(dimethylamino)-6,13-dihydroxynonadeca-7,11-dienamide
SMILESCN(C)CCCCCCC(O)C=CCCC=CC(O)CCCCC(N)=O
InChIInChI=1S/C21H40N2O3/c1-23(2)18-12-6-5-9-15-19(24)13-7-3-4-8-14-20(25)16-10-11-17-21(22)26/h7-8,13-14,19-20,24-25H,3-6,9-12,15-18H2,1-2H3,(H2,22,26)
InChIKeyWPOXSAKJBCSPLD-UHFFFAOYSA-N
MW368.56 g/mol
LogP3.16
Rot. Bonds17

About 19-(dimethylamino)-6,13-dihydroxynonadeca-7,11-dienamide

19-(dimethylamino)-6,13-dihydroxynonadeca-7,11-dienamide (PubChem CID 173413394) has the molecular formula C21H40N2O3 and a molecular weight of 368.56 g/mol. Its IUPAC name is 19-(dimethylamino)-6,13-dihydroxynonadeca-7,11-dienamide.

Molecular Properties

Compound Name19-(dimethylamino)-6,13-dihydroxynonadeca-7,11-dienamide
PubChem CID173413394
Molecular FormulaC21H40N2O3
Molecular Weight368.56 g/mol
Exact Mass368.30
IUPAC Name19-(dimethylamino)-6,13-dihydroxynonadeca-7,11-dienamide
SMILESCN(C)CCCCCCC(O)C=CCCC=CC(O)CCCCC(N)=O
InChIInChI=1S/C21H40N2O3/c1-23(2)18-12-6-5-9-15-19(24)13-7-3-4-8-14-20(25)16-10-11-17-21(22)26/h7-8,13-14,19-20,24-25H,3-6,9-12,15-18H2,1-2H3,(H2,22,26)
InChIKeyWPOXSAKJBCSPLD-UHFFFAOYSA-N
XLogP3.16
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.56
LogP ≤ 53.16
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

N,N-dimethylhexan-1-amine;hexanediamide
CID 174907483
13-(dimethylamino)-10-methyltridec-10-enamide
CID 173440462
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238
(E,12R)-12-hydroxyheptadec-10-enoic acid
CID 129382398
(Z)-11-hydroxyoctadec-9-enoate
CID 171037416
[(E)-4-hydroxyundec-2-enyl] propanoate
CID 45142117
decanamide;N,N-dimethylpropan-1-amine
CID 160827812
henicos-7-en-6-ol
CID 91409967
icosa-8,12-dienediamide
CID 154110661
bis[(Z)-dec-3-en-2-yl] 9-[5-(dimethylamino)pentyl]heptadecanedioate
CID 167553140
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158

Frequently Asked Questions

What is the IUPAC name of 19-(dimethylamino)-6,13-dihydroxynonadeca-7,11-dienamide?
The IUPAC name of 19-(dimethylamino)-6,13-dihydroxynonadeca-7,11-dienamide (CID 173413394) is 19-(dimethylamino)-6,13-dihydroxynonadeca-7,11-dienamide.
What is the SMILES notation for 19-(dimethylamino)-6,13-dihydroxynonadeca-7,11-dienamide?
The canonical SMILES for 19-(dimethylamino)-6,13-dihydroxynonadeca-7,11-dienamide is CN(C)CCCCCCC(O)C=CCCC=CC(O)CCCCC(N)=O.
What is the InChIKey of 19-(dimethylamino)-6,13-dihydroxynonadeca-7,11-dienamide?
The InChIKey is WPOXSAKJBCSPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O3/c1-23(2)18-12-6-5-9-15-19(24)13-7-3-4-8-14-20(25)16-10-11-17-21(22)26/h7-8,13-14,19-20,24-25H,3-6,9-12,15-18H2,1-2H3,(H2,22,26).
What are the key properties of 19-(dimethylamino)-6,13-dihydroxynonadeca-7,11-dienamide?
19-(dimethylamino)-6,13-dihydroxynonadeca-7,11-dienamide has a molecular weight of 368.56 g/mol, XLogP of 3.16, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(dimethylamino)-6,13-dihydroxynonadeca-7,11-dienamide is sourced from PubChem (CID 173413394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).