N-(3-bromobutyl)-3-methyl-2-phenylpentanamide

C16H24BrNO — CID 114312530

IUPACN-(3-bromobutyl)-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)NCCC(C)Br)c1ccccc1
InChIInChI=1S/C16H24BrNO/c1-4-12(2)15(14-8-6-5-7-9-14)16(19)18-11-10-13(3)17/h5-9,12-13,15H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyVPTKXVIMXGTSAG-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.11
Rot. Bonds7

About N-(3-bromobutyl)-3-methyl-2-phenylpentanamide

N-(3-bromobutyl)-3-methyl-2-phenylpentanamide (PubChem CID 114312530) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-(3-bromobutyl)-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-(3-bromobutyl)-3-methyl-2-phenylpentanamide
PubChem CID114312530
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-(3-bromobutyl)-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)NCCC(C)Br)c1ccccc1
InChIInChI=1S/C16H24BrNO/c1-4-12(2)15(14-8-6-5-7-9-14)16(19)18-11-10-13(3)17/h5-9,12-13,15H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyVPTKXVIMXGTSAG-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.11
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-but-3-enyl-3-methyl-2-phenylpentanamide
CID 113466088
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
N-[2-(2-methoxyethylamino)ethyl]-3-methyl-2-phenylpentanamide
CID 82990815
N-(3-chloro-2-methylpropyl)-3-methyl-2-phenylpentanamide
CID 114302680
N-(2-aminobutyl)-3-methyl-2-phenylpentanamide
CID 63731148
N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide
CID 114310573
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide
CID 115456296
N-(1,3-dihydroxypropan-2-yl)-3-methyl-2-phenylpentanamide
CID 65315116
(2S,3R)-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]-3-methyl-2-phenylpentanamide
CID 97025367
3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide
CID 114793980
3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide
CID 78846238
(2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide
CID 95339120

Frequently Asked Questions

What is the IUPAC name of N-(3-bromobutyl)-3-methyl-2-phenylpentanamide?
The IUPAC name of N-(3-bromobutyl)-3-methyl-2-phenylpentanamide (CID 114312530) is N-(3-bromobutyl)-3-methyl-2-phenylpentanamide.
What is the SMILES notation for N-(3-bromobutyl)-3-methyl-2-phenylpentanamide?
The canonical SMILES for N-(3-bromobutyl)-3-methyl-2-phenylpentanamide is CCC(C)C(C(=O)NCCC(C)Br)c1ccccc1.
What is the InChIKey of N-(3-bromobutyl)-3-methyl-2-phenylpentanamide?
The InChIKey is VPTKXVIMXGTSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-4-12(2)15(14-8-6-5-7-9-14)16(19)18-11-10-13(3)17/h5-9,12-13,15H,4,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-(3-bromobutyl)-3-methyl-2-phenylpentanamide?
N-(3-bromobutyl)-3-methyl-2-phenylpentanamide has a molecular weight of 326.28 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromobutyl)-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 114312530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).