3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

C19H22BrNO3 — CID 55588021

IUPAC3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCC(C)Oc1ccc(CNC(=O)CCOc2cccc(Br)c2)cc1
InChIInChI=1S/C19H22BrNO3/c1-14(2)24-17-8-6-15(7-9-17)13-21-19(22)10-11-23-18-5-3-4-16(20)12-18/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,22)
InChIKeyYQSUEZRFYNNDBB-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.32
Rot. Bonds8

About 3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 55588021) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID55588021
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCC(C)Oc1ccc(CNC(=O)CCOc2cccc(Br)c2)cc1
InChIInChI=1S/C19H22BrNO3/c1-14(2)24-17-8-6-15(7-9-17)13-21-19(22)10-11-23-18-5-3-4-16(20)12-18/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,22)
InChIKeyYQSUEZRFYNNDBB-UHFFFAOYSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide 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-[(3-bromophenyl)methyl]-3-(3,4-dimethylphenoxy)propanamide
CID 52570793
3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 51155626
3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide
CID 61091366
3-(3-bromophenoxy)-N-(2-ethylbutyl)propanamide
CID 115612621
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
CID 43911104
3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 26776021
N-[(4-propan-2-yloxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167853
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(3-bromophenoxy)propanoate
CID 7880265
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28633501
3-(3-bromophenoxy)-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66178943

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (CID 55588021) is 3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is CC(C)Oc1ccc(CNC(=O)CCOc2cccc(Br)c2)cc1.
What is the InChIKey of 3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is YQSUEZRFYNNDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-14(2)24-17-8-6-15(7-9-17)13-21-19(22)10-11-23-18-5-3-4-16(20)12-18/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,22).
What are the key properties of 3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 392.29 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 55588021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).