3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide

C13H18BrNO3 — CID 60740275

IUPAC3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)CCO)cc1Br
InChIInChI=1S/C13H18BrNO3/c1-15(7-8-16)13(17)6-4-10-3-5-12(18-2)11(14)9-10/h3,5,9,16H,4,6-8H2,1-2H3
InChIKeyWRXFHWLZZOQDOH-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.84
Rot. Bonds6

About 3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide

3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide (PubChem CID 60740275) has the molecular formula C13H18BrNO3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
PubChem CID60740275
Molecular FormulaC13H18BrNO3
Molecular Weight316.20 g/mol
Exact Mass315.05
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)CCO)cc1Br
InChIInChI=1S/C13H18BrNO3/c1-15(7-8-16)13(17)6-4-10-3-5-12(18-2)11(14)9-10/h3,5,9,16H,4,6-8H2,1-2H3
InChIKeyWRXFHWLZZOQDOH-UHFFFAOYSA-N
XLogP1.84
TPSA49.77 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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886057
N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119658573
3-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 55574705
N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119582485
methyl 3-[2-(3-bromo-4-methoxyphenyl)ethyl-methylamino]propanoate
CID 115232567
3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 55574875
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 82071517
3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865219
4-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 64516496
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoyl-methylamino]propanoate
CID 61031323
3-(3-bromo-4-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315523

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide (CID 60740275) is 3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide is COc1ccc(CCC(=O)N(C)CCO)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide?
The InChIKey is WRXFHWLZZOQDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3/c1-15(7-8-16)13(17)6-4-10-3-5-12(18-2)11(14)9-10/h3,5,9,16H,4,6-8H2,1-2H3.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide?
3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide has a molecular weight of 316.20 g/mol, XLogP of 1.84, 6 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-(2-hydroxyethyl)-N-methylpropanamide is sourced from PubChem (CID 60740275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).