2-bromo-3-methyl-N-phenylmethoxybutanamide

C12H16BrNO2 — CID 64974144

IUPAC2-bromo-3-methyl-N-phenylmethoxybutanamide
SMILESCC(C)C(Br)C(=O)NOCc1ccccc1
InChIInChI=1S/C12H16BrNO2/c1-9(2)11(13)12(15)14-16-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)
InChIKeyZIPCNEBEWYSVSO-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.65
Rot. Bonds5

About 2-bromo-3-methyl-N-phenylmethoxybutanamide

2-bromo-3-methyl-N-phenylmethoxybutanamide (PubChem CID 64974144) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-phenylmethoxybutanamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-phenylmethoxybutanamide
PubChem CID64974144
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-bromo-3-methyl-N-phenylmethoxybutanamide
SMILESCC(C)C(Br)C(=O)NOCc1ccccc1
InChIInChI=1S/C12H16BrNO2/c1-9(2)11(13)12(15)14-16-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)
InChIKeyZIPCNEBEWYSVSO-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-3-methyl-N-phenylmethoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
2-amino-3-methyl-N-phenylmethoxypentanamide
CID 64974779
2-hydroxy-5-methyl-N-phenylmethoxyhexanamide
CID 174417075
5-amino-2-methyl-N-phenylmethoxypentanamide
CID 104685201
2-amino-4-phenyl-N-phenylmethoxybutanamide
CID 76637297
2-amino-2-phenyl-N-phenylmethoxyacetamide
CID 64974988
2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55169772
(2S)-2-[(2-bromo-3-methylbutanoyl)amino]-3-phenylpropanoic acid
CID 102267737
2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide
CID 60668454
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
2,3,4-trihydroxy-N-phenylmethoxybutanamide
CID 130149986
ethyl 2-benzyl-3-oxo-3-(phenylmethoxyamino)propanoate
CID 57483942

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-phenylmethoxybutanamide?
The IUPAC name of 2-bromo-3-methyl-N-phenylmethoxybutanamide (CID 64974144) is 2-bromo-3-methyl-N-phenylmethoxybutanamide.
What is the SMILES notation for 2-bromo-3-methyl-N-phenylmethoxybutanamide?
The canonical SMILES for 2-bromo-3-methyl-N-phenylmethoxybutanamide is CC(C)C(Br)C(=O)NOCc1ccccc1.
What is the InChIKey of 2-bromo-3-methyl-N-phenylmethoxybutanamide?
The InChIKey is ZIPCNEBEWYSVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(2)11(13)12(15)14-16-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-3-methyl-N-phenylmethoxybutanamide?
2-bromo-3-methyl-N-phenylmethoxybutanamide has a molecular weight of 286.17 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-phenylmethoxybutanamide is sourced from PubChem (CID 64974144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).