N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide

C26H43BrN2O2 — CID 124632237

IUPACN-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N/N=C\c1cc(OC)ccc1Br
InChIInChI=1S/C26H43BrN2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(30)29-28-22-23-21-24(31-2)19-20-25(23)27/h19-22H,3-18H2,1-2H3,(H,29,30)/b28-22-
InChIKeyTWOSUVJIXQHNMY-SLMZUGIISA-N
MW495.55 g/mol
LogP8.17
Rot. Bonds19

About N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide

N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide (PubChem CID 124632237) has the molecular formula C26H43BrN2O2 and a molecular weight of 495.55 g/mol. Its IUPAC name is N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide
PubChem CID124632237
Molecular FormulaC26H43BrN2O2
Molecular Weight495.55 g/mol
Exact Mass494.25
IUPAC NameN-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N/N=C\c1cc(OC)ccc1Br
InChIInChI=1S/C26H43BrN2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(30)29-28-22-23-21-24(31-2)19-20-25(23)27/h19-22H,3-18H2,1-2H3,(H,29,30)/b28-22-
InChIKeyTWOSUVJIXQHNMY-SLMZUGIISA-N
XLogP8.17
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.55
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
CID 136806672
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6260724
1,3-bis[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]urea
CID 5334969
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]nonanamide
CID 5334708
[2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 98310557
N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-pentoxyphenoxy)propanamide
CID 6002261
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-pentoxyphenoxy)propanamide
CID 4068820
N-[(2,4,5-trimethoxyphenyl)methylideneamino]octanamide
CID 4657940
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]dodecanamide
CID 4163229
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide
CID 135717310
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]undecanamide
CID 135684513

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide?
The IUPAC name of N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide (CID 124632237) is N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide.
What is the SMILES notation for N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide?
The canonical SMILES for N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)N/N=C\c1cc(OC)ccc1Br.
What is the InChIKey of N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide?
The InChIKey is TWOSUVJIXQHNMY-SLMZUGIISA-N. The full InChI is InChI=1S/C26H43BrN2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(30)29-28-22-23-21-24(31-2)19-20-25(23)27/h19-22H,3-18H2,1-2H3,(H,29,30)/b28-22-.
What are the key properties of N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide?
N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide has a molecular weight of 495.55 g/mol, XLogP of 8.17, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide is sourced from PubChem (CID 124632237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).