N-(4-bromobutyl)-2-methyl-2-phenylpropanamide

C14H20BrNO — CID 106845643

IUPACN-(4-bromobutyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NCCCCBr)c1ccccc1
InChIInChI=1S/C14H20BrNO/c1-14(2,12-8-4-3-5-9-12)13(17)16-11-7-6-10-15/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,16,17)
InChIKeyILSDECYZCALVHY-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.26
Rot. Bonds6

About N-(4-bromobutyl)-2-methyl-2-phenylpropanamide

N-(4-bromobutyl)-2-methyl-2-phenylpropanamide (PubChem CID 106845643) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-(4-bromobutyl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-bromobutyl)-2-methyl-2-phenylpropanamide
PubChem CID106845643
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-(4-bromobutyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NCCCCBr)c1ccccc1
InChIInChI=1S/C14H20BrNO/c1-14(2,12-8-4-3-5-9-12)13(17)16-11-7-6-10-15/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,16,17)
InChIKeyILSDECYZCALVHY-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.26
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-(2-acetamidoethyl)-2-methyl-2-phenylpropanamide
CID 110678562
N-(4-azidobutyl)-2-methyl-2-phenylpropanamide
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2-methyl-2-phenyl-N-[2-(propan-2-ylamino)ethyl]propanamide
CID 62659574
2-methyl-N-[2-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 46531773
N-(3,3-dimethyl-2-oxobutyl)-2-methyl-2-phenylpropanamide
CID 64991414
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
CID 110463413
N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
CID 106355073
2-methyl-N-(2-methylprop-2-enyl)-2-phenylpropanamide
CID 114618287
N-[(2-methyl-2-phenylpropanoyl)amino]formamide
CID 71020555
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
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N-(2-hydroxy-2-methylbutyl)-2-methyl-2-phenylpropanamide
CID 65114444

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutyl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(4-bromobutyl)-2-methyl-2-phenylpropanamide (CID 106845643) is N-(4-bromobutyl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(4-bromobutyl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(4-bromobutyl)-2-methyl-2-phenylpropanamide is CC(C)(C(=O)NCCCCBr)c1ccccc1.
What is the InChIKey of N-(4-bromobutyl)-2-methyl-2-phenylpropanamide?
The InChIKey is ILSDECYZCALVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-14(2,12-8-4-3-5-9-12)13(17)16-11-7-6-10-15/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromobutyl)-2-methyl-2-phenylpropanamide?
N-(4-bromobutyl)-2-methyl-2-phenylpropanamide has a molecular weight of 298.22 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutyl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 106845643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).