2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide

C19H23BrN2O2 — CID 4883197

IUPAC2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(Br)cc1CN(C)CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H23BrN2O2/c1-14(15-7-5-4-6-8-15)21-19(23)13-22(2)12-16-11-17(20)9-10-18(16)24-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyGOOXQPCEWUGREW-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.77
Rot. Bonds7

About 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide

2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide (PubChem CID 4883197) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
PubChem CID4883197
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(Br)cc1CN(C)CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H23BrN2O2/c1-14(15-7-5-4-6-8-15)21-19(23)13-22(2)12-16-11-17(20)9-10-18(16)24-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyGOOXQPCEWUGREW-UHFFFAOYSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4876507
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 8798523
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylbutyl)acetamide
CID 8810478
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(methylcarbamoyl)acetamide
CID 8558737
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
(3S)-3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide
CID 26006172
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 18197627
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 2657702
2-[benzyl(methyl)amino]-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55824439
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8805833
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-cyclopentylacetamide
CID 27098608

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide (CID 4883197) is 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide is COc1ccc(Br)cc1CN(C)CC(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
The InChIKey is GOOXQPCEWUGREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-14(15-7-5-4-6-8-15)21-19(23)13-22(2)12-16-11-17(20)9-10-18(16)24-3/h4-11,14H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide has a molecular weight of 391.31 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 4883197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).