2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide

C13H18BrNO2 — CID 114327366

IUPAC2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccccc1C(C)NC(=O)C(C)(C)Br
InChIInChI=1S/C13H18BrNO2/c1-9(15-12(16)13(2,3)14)10-7-5-6-8-11(10)17-4/h5-9H,1-4H3,(H,15,16)
InChIKeyZEDWCIYYTVVZIG-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.05
Rot. Bonds4

About 2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide

2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide (PubChem CID 114327366) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
PubChem CID114327366
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccccc1C(C)NC(=O)C(C)(C)Br
InChIInChI=1S/C13H18BrNO2/c1-9(15-12(16)13(2,3)14)10-7-5-6-8-11(10)17-4/h5-9H,1-4H3,(H,15,16)
InChIKeyZEDWCIYYTVVZIG-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387957
2-amino-N-[1-(2-methoxyphenyl)ethyl]-2-phenylpropanamide
CID 120586910
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide
CID 114327349
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
2-amino-2-ethyl-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 79815252
2-amino-2-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387544
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81387704
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81387944

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide (CID 114327366) is 2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide is COc1ccccc1C(C)NC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide?
The InChIKey is ZEDWCIYYTVVZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9(15-12(16)13(2,3)14)10-7-5-6-8-11(10)17-4/h5-9H,1-4H3,(H,15,16).
What are the key properties of 2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide?
2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide has a molecular weight of 300.20 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 114327366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).