3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide

C9H17BrN2O2 — CID 106096105

IUPAC3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NC(=O)C(C)(C)Br
InChIInChI=1S/C9H17BrN2O2/c1-8(2,5-6(11)13)12-7(14)9(3,4)10/h5H2,1-4H3,(H2,11,13)(H,12,14)
InChIKeyFRWNVGAOGWVJEE-UHFFFAOYSA-N
MW265.15 g/mol
LogP0.93
Rot. Bonds4

About 3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide

3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide (PubChem CID 106096105) has the molecular formula C9H17BrN2O2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
PubChem CID106096105
Molecular FormulaC9H17BrN2O2
Molecular Weight265.15 g/mol
Exact Mass264.05
IUPAC Name3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NC(=O)C(C)(C)Br
InChIInChI=1S/C9H17BrN2O2/c1-8(2,5-6(11)13)12-7(14)9(3,4)10/h5H2,1-4H3,(H2,11,13)(H,12,14)
InChIKeyFRWNVGAOGWVJEE-UHFFFAOYSA-N
XLogP0.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide
CID 106096112
3-(tert-butylcarbamoylamino)-3-methylbutanamide
CID 106096156
3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide
CID 106096960
2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylpropanamide
CID 82110016
3,3-dibromo-3-hydroxypropanamide
CID 174562578
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-sulfanylbenzamide
CID 106098592
3-[3-(ethylamino)propanoylamino]-3-methylbutanamide
CID 106096656
N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide
CID 106096157
3-[(2-ethoxyacetyl)amino]-3-methylbutanamide
CID 104579494
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide
CID 104579484
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 106097791
3-(butylcarbamoylamino)-3-methylbutanamide
CID 106096139

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide (CID 106096105) is 3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)NC(=O)C(C)(C)Br.
What is the InChIKey of 3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide?
The InChIKey is FRWNVGAOGWVJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN2O2/c1-8(2,5-6(11)13)12-7(14)9(3,4)10/h5H2,1-4H3,(H2,11,13)(H,12,14).
What are the key properties of 3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide?
3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide has a molecular weight of 265.15 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide is sourced from PubChem (CID 106096105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).