3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide

C20H24BrNO3 — CID 55574875

IUPAC3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1ccc(C(C)N(C)C(=O)CCc2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C20H24BrNO3/c1-14(16-7-9-17(24-3)10-8-16)22(2)20(23)12-6-15-5-11-19(25-4)18(21)13-15/h5,7-11,13-14H,6,12H2,1-4H3
InChIKeyDUKFFUDJDVIOHC-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.62
Rot. Bonds7

About 3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide

3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide (PubChem CID 55574875) has the molecular formula C20H24BrNO3 and a molecular weight of 406.32 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
PubChem CID55574875
Molecular FormulaC20H24BrNO3
Molecular Weight406.32 g/mol
Exact Mass405.09
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1ccc(C(C)N(C)C(=O)CCc2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C20H24BrNO3/c1-14(16-7-9-17(24-3)10-8-16)22(2)20(23)12-6-15-5-11-19(25-4)18(21)13-15/h5,7-11,13-14H,6,12H2,1-4H3
InChIKeyDUKFFUDJDVIOHC-UHFFFAOYSA-N
XLogP4.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-aminopropan-2-yl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119582485
3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 55575014
N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119658573
3-(3-bromo-4-methoxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 60740275
N-methyl-3-naphthalen-2-yl-N-(1-phenylethyl)propanamide
CID 60521214
N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
CID 45212918
3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 42919947
3-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 55574705
3-(3-bromo-4-methoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 43067259
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
CID 75869937
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 63225839
2-bromo-4-[1-chloro-3-(4-methoxyphenyl)propyl]-1-methoxybenzene
CID 63427270

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide (CID 55574875) is 3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide is COc1ccc(C(C)N(C)C(=O)CCc2ccc(OC)c(Br)c2)cc1.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide?
The InChIKey is DUKFFUDJDVIOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO3/c1-14(16-7-9-17(24-3)10-8-16)22(2)20(23)12-6-15-5-11-19(25-4)18(21)13-15/h5,7-11,13-14H,6,12H2,1-4H3.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide?
3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide has a molecular weight of 406.32 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 55574875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).