N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide

C16H24BrNO — CID 82259470

IUPACN-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)C(Br)Cc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H24BrNO/c1-11(2)14(17)10-12-6-8-13(9-7-12)18-15(19)16(3,4)5/h6-9,11,14H,10H2,1-5H3,(H,18,19)
InChIKeyNEZHBRGAODQGMS-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.63
Rot. Bonds4

About N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide

N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 82259470) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide
PubChem CID82259470
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)C(Br)Cc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H24BrNO/c1-11(2)14(17)10-12-6-8-13(9-7-12)18-15(19)16(3,4)5/h6-9,11,14H,10H2,1-5H3,(H,18,19)
InChIKeyNEZHBRGAODQGMS-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide
CID 82259731
N-[4-(2-bromo-3-methylbutyl)phenyl]-2-ethylbutanamide
CID 82259471
N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide
CID 82259967
2,2-dimethyl-N-[4-(sulfanylmethyl)phenyl]propanamide
CID 176900093
N-[4-(2-bromobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 62855176
2,2-dimethyl-N-[4-(2-methylpentan-3-yl)phenyl]propanamide
CID 126512777
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
N-[4-(2-bromo-3-methylbutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259475
(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 79011946
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide
CID 159222275

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide (CID 82259470) is N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide is CC(C)C(Br)Cc1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is NEZHBRGAODQGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-11(2)14(17)10-12-6-8-13(9-7-12)18-15(19)16(3,4)5/h6-9,11,14H,10H2,1-5H3,(H,18,19).
What are the key properties of N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide?
N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 326.28 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82259470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).