11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide

C25H44N2O4 — CID 123565644

IUPAC11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide
SMILESO=C(C=CCCCCCCCCO)N[C@@H]1C[C@H]1NC(=O)C=CCCCCCCCCO
InChIInChI=1S/C25H44N2O4/c28-19-15-11-7-3-1-5-9-13-17-24(30)26-22-21-23(22)27-25(31)18-14-10-6-2-4-8-12-16-20-29/h13-14,17-18,22-23,28-29H,1-12,15-16,19-21H2,(H,26,30)(H,27,31)/t22-,23-/m1/s1
InChIKeyNXWKPXLFEZDYIZ-DHIUTWEWSA-N
MW436.64 g/mol
LogP3.92
Rot. Bonds20

About 11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide

11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide (PubChem CID 123565644) has the molecular formula C25H44N2O4 and a molecular weight of 436.64 g/mol. Its IUPAC name is 11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide.

Molecular Properties

Compound Name11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide
PubChem CID123565644
Molecular FormulaC25H44N2O4
Molecular Weight436.64 g/mol
Exact Mass436.33
IUPAC Name11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide
SMILESO=C(C=CCCCCCCCCO)N[C@@H]1C[C@H]1NC(=O)C=CCCCCCCCCO
InChIInChI=1S/C25H44N2O4/c28-19-15-11-7-3-1-5-9-13-17-24(30)26-22-21-23(22)27-25(31)18-14-10-6-2-4-8-12-16-20-29/h13-14,17-18,22-23,28-29H,1-12,15-16,19-21H2,(H,26,30)(H,27,31)/t22-,23-/m1/s1
InChIKeyNXWKPXLFEZDYIZ-DHIUTWEWSA-N
XLogP3.92
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.64
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

17-hydroxy-N-[(1S,2R)-2-(17-hydroxyheptadec-2-enoylamino)cyclopropyl]heptadec-2-enamide
CID 123255928
(E)-15-hydroxy-N-[(1R,2R)-2-[[(E)-14-hydroxytetradec-2-enoyl]amino]cyclobutyl]pentadec-2-enamide
CID 90381702
(E)-N-[(1R,2S)-2-[[(E)-octadec-2-enoyl]amino]cyclopropyl]octadec-2-enamide
CID 144516819
(E)-N-[(1R,2S)-2-[[(E)-heptadec-2-enoyl]amino]cyclopropyl]heptadec-2-enamide
CID 144516762
(E)-17-(oxan-2-yloxy)-N-[(1R,2S)-2-[[(E)-17-(oxan-2-yloxy)heptadec-2-enoyl]amino]cyclopropyl]heptadec-2-enamide
CID 90381690
12-hydroxy-N-[(2R,3S,5S,9R,10S)-2,9,10-trihydroxy-6-oxo-1-oxaspiro[4.5]dec-7-en-3-yl]dodec-2-enamide
CID 162860342
2-fluoro-N-[2-[(2-fluoro-8-hydroxyoct-2-enoyl)amino]cyclopropyl]-8-hydroxyoct-2-enamide
CID 78045888
(E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide
CID 144516859
(E)-10-hydroxydec-2-enoic acid
CID 5312738
(E)-N-cyclopropylnon-2-enamide
CID 144516886
(E)-N,N'-bis(4-hydroxybutyl)dodec-2-enediamide
CID 19606629
(E)-hexadec-1-ene-1,16-diol
CID 57427575

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide?
The IUPAC name of 11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide (CID 123565644) is 11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide.
What is the SMILES notation for 11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide?
The canonical SMILES for 11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide is O=C(C=CCCCCCCCCO)N[C@@H]1C[C@H]1NC(=O)C=CCCCCCCCCO.
What is the InChIKey of 11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide?
The InChIKey is NXWKPXLFEZDYIZ-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H44N2O4/c28-19-15-11-7-3-1-5-9-13-17-24(30)26-22-21-23(22)27-25(31)18-14-10-6-2-4-8-12-16-20-29/h13-14,17-18,22-23,28-29H,1-12,15-16,19-21H2,(H,26,30)(H,27,31)/t22-,23-/m1/s1.
What are the key properties of 11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide?
11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide has a molecular weight of 436.64 g/mol, XLogP of 3.92, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-N-[(1R,2R)-2-(11-hydroxyundec-2-enoylamino)cyclopropyl]undec-2-enamide is sourced from PubChem (CID 123565644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).