(Z)-N-(aminomethyl)docos-13-enamide

C23H46N2O — CID 139970959

IUPAC(Z)-N-(aminomethyl)docos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCN
InChIInChI=1S/C23H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22-24/h9-10H,2-8,11-22,24H2,1H3,(H,25,26)/b10-9-
InChIKeyMHYAZEMNLDFMGO-KTKRTIGZSA-N
MW366.63 g/mol
LogP6.62
Rot. Bonds20

About (Z)-N-(aminomethyl)docos-13-enamide

(Z)-N-(aminomethyl)docos-13-enamide (PubChem CID 139970959) has the molecular formula C23H46N2O and a molecular weight of 366.63 g/mol. Its IUPAC name is (Z)-N-(aminomethyl)docos-13-enamide.

Molecular Properties

Compound Name(Z)-N-(aminomethyl)docos-13-enamide
PubChem CID139970959
Molecular FormulaC23H46N2O
Molecular Weight366.63 g/mol
Exact Mass366.36
IUPAC Name(Z)-N-(aminomethyl)docos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCN
InChIInChI=1S/C23H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22-24/h9-10H,2-8,11-22,24H2,1H3,(H,25,26)/b10-9-
InChIKeyMHYAZEMNLDFMGO-KTKRTIGZSA-N
XLogP6.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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
(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
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
N,N'-bis[(E)-non-2-enyl]hexanediamide
CID 101279958
(Z)-N-dodecyldocos-13-enamide
CID 87733981

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(aminomethyl)docos-13-enamide?
The IUPAC name of (Z)-N-(aminomethyl)docos-13-enamide (CID 139970959) is (Z)-N-(aminomethyl)docos-13-enamide.
What is the SMILES notation for (Z)-N-(aminomethyl)docos-13-enamide?
The canonical SMILES for (Z)-N-(aminomethyl)docos-13-enamide is CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCN.
What is the InChIKey of (Z)-N-(aminomethyl)docos-13-enamide?
The InChIKey is MHYAZEMNLDFMGO-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22-24/h9-10H,2-8,11-22,24H2,1H3,(H,25,26)/b10-9-.
What are the key properties of (Z)-N-(aminomethyl)docos-13-enamide?
(Z)-N-(aminomethyl)docos-13-enamide has a molecular weight of 366.63 g/mol, XLogP of 6.62, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(aminomethyl)docos-13-enamide is sourced from PubChem (CID 139970959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).