5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide

C16H24BrNO — CID 107908811

IUPAC5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide
SMILESCC(C)CC(NC(=O)CCCCBr)c1ccccc1
InChIInChI=1S/C16H24BrNO/c1-13(2)12-15(14-8-4-3-5-9-14)18-16(19)10-6-7-11-17/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,18,19)
InChIKeyBJBOYQXJOYSQJZ-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.46
Rot. Bonds8

About 5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide

5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide (PubChem CID 107908811) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide
PubChem CID107908811
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide
SMILESCC(C)CC(NC(=O)CCCCBr)c1ccccc1
InChIInChI=1S/C16H24BrNO/c1-13(2)12-15(14-8-4-3-5-9-14)18-16(19)10-6-7-11-17/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,18,19)
InChIKeyBJBOYQXJOYSQJZ-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride
CID 119689313
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
3-(3,4-dimethylphenyl)-N-(3-methyl-1-phenylbutyl)propanamide
CID 133187263
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide
CID 107908718
2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567050
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8913845
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide?
The IUPAC name of 5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide (CID 107908811) is 5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide?
The canonical SMILES for 5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide is CC(C)CC(NC(=O)CCCCBr)c1ccccc1.
What is the InChIKey of 5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide?
The InChIKey is BJBOYQXJOYSQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-13(2)12-15(14-8-4-3-5-9-14)18-16(19)10-6-7-11-17/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide?
5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide has a molecular weight of 326.28 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide is sourced from PubChem (CID 107908811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).