5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide

C16H24BrNO — CID 107910587

IUPAC5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
SMILESCC(C)(CCc1ccccc1)NC(=O)CCCCBr
InChIInChI=1S/C16H24BrNO/c1-16(2,18-15(19)10-6-7-13-17)12-11-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,18,19)
InChIKeyPQWJVOQRMMAOBM-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.08
Rot. Bonds8

About 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide

5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide (PubChem CID 107910587) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
PubChem CID107910587
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
SMILESCC(C)(CCc1ccccc1)NC(=O)CCCCBr
InChIInChI=1S/C16H24BrNO/c1-16(2,18-15(19)10-6-7-13-17)12-11-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,18,19)
InChIKeyPQWJVOQRMMAOBM-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
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

N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide
CID 115870187
N-(1-bromo-3-methylpentan-3-yl)-4-phenylbutanamide
CID 114153222
5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide
CID 107910640
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
4-methyl-4-[[2-(2-phenylethoxy)acetyl]amino]pentanoic acid
CID 119204238
2,2,3-trimethyl-3-(4-phenylbutanoylamino)butanoic acid
CID 65261163
2-(cyclopropylmethylamino)-N-(2-methyl-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119772417
N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide
CID 114307896
5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide
CID 107909678
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide
CID 115606453
2-methyl-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine
CID 142171230
(2S)-2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)butanamide
CID 104863039

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide?
The IUPAC name of 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide (CID 107910587) is 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide?
The canonical SMILES for 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide is CC(C)(CCc1ccccc1)NC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide?
The InChIKey is PQWJVOQRMMAOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-16(2,18-15(19)10-6-7-13-17)12-11-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide?
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide has a molecular weight of 326.28 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide is sourced from PubChem (CID 107910587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).