N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide

C16H23BrN2O3 — CID 135717310

IUPACN-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C16H23BrN2O3/c1-3-4-5-6-7-8-15(20)19-18-11-12-9-13(17)16(21)14(10-12)22-2/h9-11,21H,3-8H2,1-2H3,(H,19,20)/b18-11+
InChIKeyOHPVLXAQWIBUJX-WOJGMQOQSA-N
MW371.28 g/mol
LogP3.97
Rot. Bonds9

About N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide

N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide (PubChem CID 135717310) has the molecular formula C16H23BrN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide
PubChem CID135717310
Molecular FormulaC16H23BrN2O3
Molecular Weight371.28 g/mol
Exact Mass370.09
IUPAC NameN-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C16H23BrN2O3/c1-3-4-5-6-7-8-15(20)19-18-11-12-9-13(17)16(21)14(10-12)22-2/h9-11,21H,3-8H2,1-2H3,(H,19,20)/b18-11+
InChIKeyOHPVLXAQWIBUJX-WOJGMQOQSA-N
XLogP3.97
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]undecanamide
CID 135684513
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]dodecanamide
CID 4163229
N,N'-bis[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]decanediamide
CID 4631848
N,N'-bis[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]decanediamide
CID 135607142
N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135606237
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135683422
ethyl N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 135478861
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 137122722
N,N'-bis[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]heptanediamide
CID 6113773
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]nonanediamide
CID 98542039
N'-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 3266884
N-[3-[2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide
CID 3268350

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide?
The IUPAC name of N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide (CID 135717310) is N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide.
What is the SMILES notation for N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide?
The canonical SMILES for N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide is CCCCCCCC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1.
What is the InChIKey of N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide?
The InChIKey is OHPVLXAQWIBUJX-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H23BrN2O3/c1-3-4-5-6-7-8-15(20)19-18-11-12-9-13(17)16(21)14(10-12)22-2/h9-11,21H,3-8H2,1-2H3,(H,19,20)/b18-11+.
What are the key properties of N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide?
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide has a molecular weight of 371.28 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]octanamide is sourced from PubChem (CID 135717310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).