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

C25H46N2O2 — CID 59001677

IUPACN-[3-(undec-10-enoylamino)propyl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)NCCCNC(=O)CCCCCCCCC=C
InChIInChI=1S/C25H46N2O2/c1-3-5-7-9-11-13-15-17-20-24(28)26-22-19-23-27-25(29)21-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-23H2,(H,26,28)(H,27,29)
InChIKeyINNGIYPTNURKPW-UHFFFAOYSA-N
MW406.66 g/mol
LogP6.22
Rot. Bonds22

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

N-[3-(undec-10-enoylamino)propyl]undec-10-enamide (PubChem CID 59001677) has the molecular formula C25H46N2O2 and a molecular weight of 406.66 g/mol. Its IUPAC name is N-[3-(undec-10-enoylamino)propyl]undec-10-enamide.

Molecular Properties

Compound NameN-[3-(undec-10-enoylamino)propyl]undec-10-enamide
PubChem CID59001677
Molecular FormulaC25H46N2O2
Molecular Weight406.66 g/mol
Exact Mass406.36
IUPAC NameN-[3-(undec-10-enoylamino)propyl]undec-10-enamide
SMILESC=CCCCCCCCCC(=O)NCCCNC(=O)CCCCCCCCC=C
InChIInChI=1S/C25H46N2O2/c1-3-5-7-9-11-13-15-17-20-24(28)26-22-19-23-27-25(29)21-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-23H2,(H,26,28)(H,27,29)
InChIKeyINNGIYPTNURKPW-UHFFFAOYSA-N
XLogP6.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3-(Dimethylamino)propyl)oleamide
CID 6436063
Stearyl erucamide
CID 6436363
Ethylene dioleamide
CID 6436065
Linoleamidopropyl Dimethylamine
CID 16745071
9-Octadecenamide, N,N'-1,2-ethanediylbis-, (9Z,9'Z)-
CID 66966
Oleyl palmitamide
CID 6436436
N,N-Diethyl-N'-oleoylethylenediamine
CID 5368041
Trimethyl-3-((1-oxo-10-undecenyl)amino)propylammonium methyl sulphate
CID 3038532
Undecylenamidopropyl Betaine
CID 9949269
9-Octadecenamide, N-(1-methylethyl)-, (9Z)-
CID 6436377
9-Octadecenamide, N-[3-(dimethyloxidoamino)propyl]-, (9Z)-
CID 91310
Oleamidopropylamine oxide
CID 6436591

Frequently Asked Questions

What is the IUPAC name of N-[3-(undec-10-enoylamino)propyl]undec-10-enamide?
The IUPAC name of N-[3-(undec-10-enoylamino)propyl]undec-10-enamide (CID 59001677) is N-[3-(undec-10-enoylamino)propyl]undec-10-enamide.
What is the SMILES notation for N-[3-(undec-10-enoylamino)propyl]undec-10-enamide?
The canonical SMILES for N-[3-(undec-10-enoylamino)propyl]undec-10-enamide is C=CCCCCCCCCC(=O)NCCCNC(=O)CCCCCCCCC=C.
What is the InChIKey of N-[3-(undec-10-enoylamino)propyl]undec-10-enamide?
The InChIKey is INNGIYPTNURKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O2/c1-3-5-7-9-11-13-15-17-20-24(28)26-22-19-23-27-25(29)21-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-23H2,(H,26,28)(H,27,29).
What are the key properties of N-[3-(undec-10-enoylamino)propyl]undec-10-enamide?
N-[3-(undec-10-enoylamino)propyl]undec-10-enamide has a molecular weight of 406.66 g/mol, XLogP of 6.22, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(undec-10-enoylamino)propyl]undec-10-enamide is sourced from PubChem (CID 59001677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).