2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide

C13H25BrN2O2 — CID 107908629

IUPAC2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC(=O)CCCCBr)C(=O)N(C)C
InChIInChI=1S/C13H25BrN2O2/c1-10(2)9-11(13(18)16(3)4)15-12(17)7-5-6-8-14/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyDIAZOGIUMYSPKY-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.17
Rot. Bonds8

About 2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide

2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide (PubChem CID 107908629) has the molecular formula C13H25BrN2O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide
PubChem CID107908629
Molecular FormulaC13H25BrN2O2
Molecular Weight321.26 g/mol
Exact Mass320.11
IUPAC Name2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC(=O)CCCCBr)C(=O)N(C)C
InChIInChI=1S/C13H25BrN2O2/c1-10(2)9-11(13(18)16(3)4)15-12(17)7-5-6-8-14/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyDIAZOGIUMYSPKY-UHFFFAOYSA-N
XLogP2.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699929
5-bromo-N-(3-methylbutan-2-yl)pentanamide
CID 107907391
5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934393
4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
CID 43699933
(2S)-4-methyl-2-(octanoylamino)pentanoic acid
CID 15021466
(2S)-4-methyl-2-(tetracosanoylamino)pentanoic acid
CID 171116901
(2S)-4-methyl-2-(pentadecanoylamino)pentanoic acid
CID 54331833
5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide
CID 107908811
2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide
CID 64685004
N,N,4-trimethyl-2-[(2-piperidin-4-ylacetyl)amino]pentanamide
CID 61029586
N-(5-methyl-2-oxohexan-3-yl)pentanamide
CID 123525185
4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide
CID 170404242

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide?
The IUPAC name of 2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide (CID 107908629) is 2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide is CC(C)CC(NC(=O)CCCCBr)C(=O)N(C)C.
What is the InChIKey of 2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide?
The InChIKey is DIAZOGIUMYSPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrN2O2/c1-10(2)9-11(13(18)16(3)4)15-12(17)7-5-6-8-14/h10-11H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide?
2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide has a molecular weight of 321.26 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide is sourced from PubChem (CID 107908629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).