2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide

C15H22BrNO — CID 114328216

IUPAC2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
SMILESCN(CCCCc1ccccc1)C(=O)C(C)(C)Br
InChIInChI=1S/C15H22BrNO/c1-15(2,16)14(18)17(3)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3
InChIKeyWDRNBBXCFBVJCX-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.64
Rot. Bonds6

About 2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide

2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide (PubChem CID 114328216) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide.

Molecular Properties

Compound Name2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
PubChem CID114328216
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide
SMILESCN(CCCCc1ccccc1)C(=O)C(C)(C)Br
InChIInChI=1S/C15H22BrNO/c1-15(2,16)14(18)17(3)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3
InChIKeyWDRNBBXCFBVJCX-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
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-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
N-methyl-N-(4-phenylbutyl)prop-2-enamide
CID 60949708
2,3-dimethyl-4-[methyl(4-phenylbutyl)amino]-4-oxobutanoic acid
CID 103497790
N,N,2,2-tetramethyl-7-phenylheptanamide
CID 142211557
N,2-dimethyl-2-(methylamino)-N-(2-phenylethyl)propanamide
CID 62846352
1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide
CID 65464465
(2S)-2-amino-N-methyl-N-(4-phenylbutyl)butanamide
CID 79024406
N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958322
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-methyl-1-(4-phenylbutyl)urea
CID 86880064
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
2-methyl-1-[methyl(4-phenylbutyl)amino]propan-2-ol
CID 110932562
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 119706013

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide?
The IUPAC name of 2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide (CID 114328216) is 2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide.
What is the SMILES notation for 2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide?
The canonical SMILES for 2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide is CN(CCCCc1ccccc1)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide?
The InChIKey is WDRNBBXCFBVJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-15(2,16)14(18)17(3)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3.
What are the key properties of 2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide?
2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide has a molecular weight of 312.25 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,2-dimethyl-N-(4-phenylbutyl)propanamide is sourced from PubChem (CID 114328216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).