2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide

C13H18BrNO3 — CID 107904095

IUPAC2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
SMILESCOCCOc1cc(C)ccc1NC(=O)C(C)Br
InChIInChI=1S/C13H18BrNO3/c1-9-4-5-11(15-13(16)10(2)14)12(8-9)18-7-6-17-3/h4-5,8,10H,6-7H2,1-3H3,(H,15,16)
InChIKeySZKYOXAFZXMHRC-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.74
Rot. Bonds6

About 2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide

2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide (PubChem CID 107904095) has the molecular formula C13H18BrNO3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
PubChem CID107904095
Molecular FormulaC13H18BrNO3
Molecular Weight316.20 g/mol
Exact Mass315.05
IUPAC Name2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
SMILESCOCCOc1cc(C)ccc1NC(=O)C(C)Br
InChIInChI=1S/C13H18BrNO3/c1-9-4-5-11(15-13(16)10(2)14)12(8-9)18-7-6-17-3/h4-5,8,10H,6-7H2,1-3H3,(H,15,16)
InChIKeySZKYOXAFZXMHRC-UHFFFAOYSA-N
XLogP2.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide
CID 62639493
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide
CID 54862844
(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide
CID 107568802
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119726873
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide
CID 113225723
2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 103733044
N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55950792
(2S)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55950157
4-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoylamino]butanoic acid
CID 122076970
N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
CID 47262655

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide?
The IUPAC name of 2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide (CID 107904095) is 2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide.
What is the SMILES notation for 2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide?
The canonical SMILES for 2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide is COCCOc1cc(C)ccc1NC(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide?
The InChIKey is SZKYOXAFZXMHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-9-4-5-11(15-13(16)10(2)14)12(8-9)18-7-6-17-3/h4-5,8,10H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide?
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide has a molecular weight of 316.20 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide is sourced from PubChem (CID 107904095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).