N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide

C25H46N2O3 — CID 156612713

IUPACN-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)NCC(O)CNC(=O)CCCCCCCCC=C
InChIInChI=1S/C25H46N2O3/c1-3-5-7-9-11-13-15-17-19-24(29)26-21-23(28)22-27-25(30)20-18-16-14-12-10-8-6-4-2/h3-4,23,28H,1-2,5-22H2,(H,26,29)(H,27,30)
InChIKeyNOXCHROVMJXXDV-UHFFFAOYSA-N
MW422.65 g/mol
LogP5.19
Rot. Bonds22

About N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide

N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide (PubChem CID 156612713) has the molecular formula C25H46N2O3 and a molecular weight of 422.65 g/mol. Its IUPAC name is N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide
PubChem CID156612713
Molecular FormulaC25H46N2O3
Molecular Weight422.65 g/mol
Exact Mass422.35
IUPAC NameN-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)NCC(O)CNC(=O)CCCCCCCCC=C
InChIInChI=1S/C25H46N2O3/c1-3-5-7-9-11-13-15-17-19-24(29)26-21-23(28)22-27-25(30)20-18-16-14-12-10-8-6-4-2/h3-4,23,28H,1-2,5-22H2,(H,26,29)(H,27,30)
InChIKeyNOXCHROVMJXXDV-UHFFFAOYSA-N
XLogP5.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.65
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide
CID 87382092
dimethyl-bis[(oct-7-enoylamino)methyl]azanium
CID 102117908
N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide
CID 59864047
3-(undec-10-enoylamino)propane-1-sulfonic acid
CID 101283812
N-[(2R)-2-hydroxypropyl]pent-4-enamide
CID 83031292
N-[3-[3-(undec-10-enoylamino)propoxy]propyl]undec-10-enamide
CID 151761639
undeca-1,10-dien-3-one
CID 152625957
deca-1,9-dien-3-one
CID 21443589
tricosa-1,22-dien-12-one
CID 86210796
N,N'-bis(2-hydroxypropyl)octadec-9-enediamide
CID 76514668
bis(propane-1,2,3-triol);undec-10-enoic acid
CID 175703798
(Z)-N-(2,3-dihydroxypropyl)docos-13-enamide
CID 53321377

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide?
The IUPAC name of N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide (CID 156612713) is N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide.
What is the SMILES notation for N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide?
The canonical SMILES for N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide is C=CCCCCCCCCC(=O)NCC(O)CNC(=O)CCCCCCCCC=C.
What is the InChIKey of N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide?
The InChIKey is NOXCHROVMJXXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O3/c1-3-5-7-9-11-13-15-17-19-24(29)26-21-23(28)22-27-25(30)20-18-16-14-12-10-8-6-4-2/h3-4,23,28H,1-2,5-22H2,(H,26,29)(H,27,30).
What are the key properties of N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide?
N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide has a molecular weight of 422.65 g/mol, XLogP of 5.19, 22 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(undec-10-enoylamino)propyl]undec-10-enamide is sourced from PubChem (CID 156612713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).