N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide

C15H22BrNO2 — CID 106156304

IUPACN-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide
SMILESCOCC(CCBr)NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H22BrNO2/c1-15(2,12-7-5-4-6-8-12)14(18)17-13(9-10-16)11-19-3/h4-8,13H,9-11H2,1-3H3,(H,17,18)
InChIKeyGFVHFZZLCNIJKK-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.88
Rot. Bonds7

About N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide

N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide (PubChem CID 106156304) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide
PubChem CID106156304
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide
SMILESCOCC(CCBr)NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H22BrNO2/c1-15(2,12-7-5-4-6-8-12)14(18)17-13(9-10-16)11-19-3/h4-8,13H,9-11H2,1-3H3,(H,17,18)
InChIKeyGFVHFZZLCNIJKK-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid
CID 81076781
N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
CID 106355073
N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide
CID 113485062
methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate
CID 171833084
N-methoxy-2-methyl-2-phenylpropanamide
CID 60717949
N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide
CID 106155980
2-(4-bromophenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide
CID 51983578
2-(4-bromophenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-methylpropanamide
CID 51983579
N-(1-aminopropan-2-yl)-2-methyl-2-phenylpropanamide
CID 63731541
N-(4-bromo-1-methoxybutan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 106156353
2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
CID 64991894
N-(4-bromobutyl)-2-methyl-2-phenylpropanamide
CID 106845643

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide (CID 106156304) is N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide is COCC(CCBr)NC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide?
The InChIKey is GFVHFZZLCNIJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-15(2,12-7-5-4-6-8-12)14(18)17-13(9-10-16)11-19-3/h4-8,13H,9-11H2,1-3H3,(H,17,18).
What are the key properties of N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide?
N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide has a molecular weight of 328.25 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methoxybutan-2-yl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 106156304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).