4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide

C17H26BrNO3 — CID 75391466

IUPAC4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide
SMILESCCC(CC(C)CO)NC(=O)CCCOc1ccccc1Br
InChIInChI=1S/C17H26BrNO3/c1-3-14(11-13(2)12-20)19-17(21)9-6-10-22-16-8-5-4-7-15(16)18/h4-5,7-8,13-14,20H,3,6,9-12H2,1-2H3,(H,19,21)
InChIKeyWSBPBKPSJVYFQQ-UHFFFAOYSA-N
MW372.30 g/mol
LogP3.52
Rot. Bonds10

About 4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide

4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide (PubChem CID 75391466) has the molecular formula C17H26BrNO3 and a molecular weight of 372.30 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide.

Molecular Properties

Compound Name4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide
PubChem CID75391466
Molecular FormulaC17H26BrNO3
Molecular Weight372.30 g/mol
Exact Mass371.11
IUPAC Name4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide
SMILESCCC(CC(C)CO)NC(=O)CCCOc1ccccc1Br
InChIInChI=1S/C17H26BrNO3/c1-3-14(11-13(2)12-20)19-17(21)9-6-10-22-16-8-5-4-7-15(16)18/h4-5,7-8,13-14,20H,3,6,9-12H2,1-2H3,(H,19,21)
InChIKeyWSBPBKPSJVYFQQ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminohexan-2-yl)-4-(2-bromophenoxy)butanamide
CID 119667552
N-[(2S)-1-hydroxybutan-2-yl]-3-(2-methylphenoxy)propanamide
CID 104981198
4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide
CID 55738830
N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide
CID 47038930
4-(2-bromophenoxy)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]butanamide
CID 56544996
N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide
CID 93032349
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide
CID 43390335
ethyl 4-(2-bromophenoxy)butanoate
CID 15070114
4-(2-bromophenoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]butanamide
CID 55790503
N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119588775
4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide
CID 19206333

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide?
The IUPAC name of 4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide (CID 75391466) is 4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide.
What is the SMILES notation for 4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide?
The canonical SMILES for 4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide is CCC(CC(C)CO)NC(=O)CCCOc1ccccc1Br.
What is the InChIKey of 4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide?
The InChIKey is WSBPBKPSJVYFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO3/c1-3-14(11-13(2)12-20)19-17(21)9-6-10-22-16-8-5-4-7-15(16)18/h4-5,7-8,13-14,20H,3,6,9-12H2,1-2H3,(H,19,21).
What are the key properties of 4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide?
4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide has a molecular weight of 372.30 g/mol, XLogP of 3.52, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-N-(6-hydroxy-5-methylhexan-3-yl)butanamide is sourced from PubChem (CID 75391466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).