5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide

C15H22BrNO — CID 107909678

IUPAC5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide
SMILESCC(C)(CNC(=O)CCCCBr)c1ccccc1
InChIInChI=1S/C15H22BrNO/c1-15(2,13-8-4-3-5-9-13)12-17-14(18)10-6-7-11-16/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,17,18)
InChIKeyITZSORUFQFHBHT-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.65
Rot. Bonds7

About 5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide

5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide (PubChem CID 107909678) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide
PubChem CID107909678
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide
SMILESCC(C)(CNC(=O)CCCCBr)c1ccccc1
InChIInChI=1S/C15H22BrNO/c1-15(2,13-8-4-3-5-9-13)12-17-14(18)10-6-7-11-16/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,17,18)
InChIKeyITZSORUFQFHBHT-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.65
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

2-hydroxy-N-(2-methyl-2-phenylpropyl)acetamide
CID 115140248
2-(methylamino)-N-(2-methyl-2-phenylpropyl)acetamide
CID 60986486
N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide
CID 56540899
(2-methyl-2-phenylpropyl)carbamothioic S-acid
CID 115170506
3-(hexanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120700832
ethyl 3-[(2-methyl-2-phenylpropyl)amino]-3-oxopropanoate
CID 115138677
7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide
CID 119738039
3-[(2R)-4-methylpentan-2-yl]oxy-N-(2-methyl-2-phenylpropyl)propanamide
CID 95975809
2-hydroxy-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 115179031
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 115163181
2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide
CID 113090289

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide?
The IUPAC name of 5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide (CID 107909678) is 5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide?
The canonical SMILES for 5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide is CC(C)(CNC(=O)CCCCBr)c1ccccc1.
What is the InChIKey of 5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide?
The InChIKey is ITZSORUFQFHBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-15(2,13-8-4-3-5-9-13)12-17-14(18)10-6-7-11-16/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide?
5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide has a molecular weight of 312.25 g/mol, XLogP of 3.65, 7 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-2-phenylpropyl)pentanamide is sourced from PubChem (CID 107909678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).