3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide

C20H23BrN2O3 — CID 17476418

IUPAC3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)CC(NC(C)=O)c1ccccc1
InChIInChI=1S/C20H23BrN2O3/c1-14(24)22-18(15-7-5-4-6-8-15)12-20(25)23(2)13-16-11-17(21)9-10-19(16)26-3/h4-11,18H,12-13H2,1-3H3,(H,22,24)
InChIKeyLHCFUMZHBNHICK-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.68
Rot. Bonds7

About 3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide

3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide (PubChem CID 17476418) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide
PubChem CID17476418
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)CC(NC(C)=O)c1ccccc1
InChIInChI=1S/C20H23BrN2O3/c1-14(24)22-18(15-7-5-4-6-8-15)12-20(25)23(2)13-16-11-17(21)9-10-19(16)26-3/h4-11,18H,12-13H2,1-3H3,(H,22,24)
InChIKeyLHCFUMZHBNHICK-UHFFFAOYSA-N
XLogP3.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide (CID 17476418) is 3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide is COc1ccc(Br)cc1CN(C)C(=O)CC(NC(C)=O)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide?
The InChIKey is LHCFUMZHBNHICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-14(24)22-18(15-7-5-4-6-8-15)12-20(25)23(2)13-16-11-17(21)9-10-19(16)26-3/h4-11,18H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide?
3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide has a molecular weight of 419.32 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 17476418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).