N-(3-aminopentyl)octadec-9-enamide

C23H46N2O — CID 173307598

IUPACN-(3-aminopentyl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)NCCC(N)CC
InChIInChI=1S/C23H46N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-21-20-22(24)4-2/h11-12,22H,3-10,13-21,24H2,1-2H3,(H,25,26)
InChIKeyHWZOMENFWIESMS-UHFFFAOYSA-N
MW366.63 g/mol
LogP6.27
Rot. Bonds19

About N-(3-aminopentyl)octadec-9-enamide

N-(3-aminopentyl)octadec-9-enamide (PubChem CID 173307598) has the molecular formula C23H46N2O and a molecular weight of 366.63 g/mol. Its IUPAC name is N-(3-aminopentyl)octadec-9-enamide.

Molecular Properties

Compound NameN-(3-aminopentyl)octadec-9-enamide
PubChem CID173307598
Molecular FormulaC23H46N2O
Molecular Weight366.63 g/mol
Exact Mass366.36
IUPAC NameN-(3-aminopentyl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)NCCC(N)CC
InChIInChI=1S/C23H46N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-21-20-22(24)4-2/h11-12,22H,3-10,13-21,24H2,1-2H3,(H,25,26)
InChIKeyHWZOMENFWIESMS-UHFFFAOYSA-N
XLogP6.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 56.27
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

(Z)-N-(3-methylbutyl)docos-13-enamide
CID 170129980
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-tetradecyloctadec-9-enamide
CID 90860718
(Z)-N-dodecyldocos-13-enamide
CID 87733981
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopentyl)octadec-9-enamide?
The IUPAC name of N-(3-aminopentyl)octadec-9-enamide (CID 173307598) is N-(3-aminopentyl)octadec-9-enamide.
What is the SMILES notation for N-(3-aminopentyl)octadec-9-enamide?
The canonical SMILES for N-(3-aminopentyl)octadec-9-enamide is CCCCCCCCC=CCCCCCCCC(=O)NCCC(N)CC.
What is the InChIKey of N-(3-aminopentyl)octadec-9-enamide?
The InChIKey is HWZOMENFWIESMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-21-20-22(24)4-2/h11-12,22H,3-10,13-21,24H2,1-2H3,(H,25,26).
What are the key properties of N-(3-aminopentyl)octadec-9-enamide?
N-(3-aminopentyl)octadec-9-enamide has a molecular weight of 366.63 g/mol, XLogP of 6.27, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopentyl)octadec-9-enamide is sourced from PubChem (CID 173307598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).