N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide

C17H26BrNO3 — CID 10915682

IUPACN-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C17H26BrNO3/c1-3-4-5-6-7-8-9-16(20)19-12-13-10-14(18)17(21)15(11-13)22-2/h10-11,21H,3-9,12H2,1-2H3,(H,19,20)
InChIKeyXPWLKWZLMZEKPO-UHFFFAOYSA-N
MW372.30 g/mol
LogP4.53
Rot. Bonds10

About N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide

N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide (PubChem CID 10915682) has the molecular formula C17H26BrNO3 and a molecular weight of 372.30 g/mol. Its IUPAC name is N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide.

Molecular Properties

Compound NameN-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide
PubChem CID10915682
Molecular FormulaC17H26BrNO3
Molecular Weight372.30 g/mol
Exact Mass371.11
IUPAC NameN-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C17H26BrNO3/c1-3-4-5-6-7-8-9-16(20)19-12-13-10-14(18)17(21)15(11-13)22-2/h10-11,21H,3-9,12H2,1-2H3,(H,19,20)
InChIKeyXPWLKWZLMZEKPO-UHFFFAOYSA-N
XLogP4.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide?
The IUPAC name of N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide (CID 10915682) is N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide.
What is the SMILES notation for N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide?
The canonical SMILES for N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide is CCCCCCCCC(=O)NCc1cc(Br)c(O)c(OC)c1.
What is the InChIKey of N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide?
The InChIKey is XPWLKWZLMZEKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO3/c1-3-4-5-6-7-8-9-16(20)19-12-13-10-14(18)17(21)15(11-13)22-2/h10-11,21H,3-9,12H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide?
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide has a molecular weight of 372.30 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]nonanamide is sourced from PubChem (CID 10915682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).