3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide

C11H14BrNO3 — CID 38013362

IUPAC3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
SMILESCONC(=O)CCc1ccc(OC)c(Br)c1
InChIInChI=1S/C11H14BrNO3/c1-15-10-5-3-8(7-9(10)12)4-6-11(14)13-16-2/h3,5,7H,4,6H2,1-2H3,(H,13,14)
InChIKeyNPZJWUFIAMLSKE-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.07
Rot. Bonds5

About 3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide

3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide (PubChem CID 38013362) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
PubChem CID38013362
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
SMILESCONC(=O)CCc1ccc(OC)c(Br)c1
InChIInChI=1S/C11H14BrNO3/c1-15-10-5-3-8(7-9(10)12)4-6-11(14)13-16-2/h3,5,7H,4,6H2,1-2H3,(H,13,14)
InChIKeyNPZJWUFIAMLSKE-UHFFFAOYSA-N
XLogP2.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315523
(2S)-2-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid
CID 61137171
3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 46568198
N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 47091604
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide
CID 35556165
2-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-4-methylpentanoic acid
CID 119188562
3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
CID 46567913
2-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]butanoic acid
CID 65219208
(2S)-4-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-2-hydroxybutanoic acid
CID 107834076
N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide
CID 119601994
N-methoxy-4-(4-methoxy-3-methylphenyl)butanamide
CID 11470409
3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 35678444

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide (CID 38013362) is 3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide is CONC(=O)CCc1ccc(OC)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide?
The InChIKey is NPZJWUFIAMLSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-15-10-5-3-8(7-9(10)12)4-6-11(14)13-16-2/h3,5,7H,4,6H2,1-2H3,(H,13,14).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide?
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide has a molecular weight of 288.14 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide is sourced from PubChem (CID 38013362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).