2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide

C21H25BrN2O4 — CID 132612705

IUPAC2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1OC
InChIInChI=1S/C21H25BrN2O4/c1-4-23-21(26)15(2)24(13-16-8-7-9-17(22)12-16)20(25)14-28-19-11-6-5-10-18(19)27-3/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)
InChIKeyCQZZLMSVMFRCSY-UHFFFAOYSA-N
MW449.35 g/mol
LogP3.39
Rot. Bonds9

About 2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide

2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide (PubChem CID 132612705) has the molecular formula C21H25BrN2O4 and a molecular weight of 449.35 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide
PubChem CID132612705
Molecular FormulaC21H25BrN2O4
Molecular Weight449.35 g/mol
Exact Mass448.10
IUPAC Name2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1OC
InChIInChI=1S/C21H25BrN2O4/c1-4-23-21(26)15(2)24(13-16-8-7-9-17(22)12-16)20(25)14-28-19-11-6-5-10-18(19)27-3/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)
InChIKeyCQZZLMSVMFRCSY-UHFFFAOYSA-N
XLogP3.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 132612452
2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide
CID 132612456
2-[(3-bromophenyl)methyl-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 132625209
2-[(3-bromophenyl)methyl-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 132616983
2-[(3-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
CID 132617171
2-[(3-bromophenyl)methyl-[2-(4-chlorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 132613311
2-[[2-(4-bromo-3-methylphenoxy)acetyl]-[(3-bromophenyl)methyl]amino]-N-ethylpropanamide
CID 132620935
N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 132664171
2-[(3-bromophenyl)methyl-[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 133211484
(2R)-2-[(3-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-(2-methylpropyl)propanamide
CID 100729424
(2R)-2-[(3-bromophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butylpropanamide
CID 100565293
N-ethyl-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132655254

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide (CID 132612705) is 2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1OC.
What is the InChIKey of 2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide?
The InChIKey is CQZZLMSVMFRCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4/c1-4-23-21(26)15(2)24(13-16-8-7-9-17(22)12-16)20(25)14-28-19-11-6-5-10-18(19)27-3/h5-12,15H,4,13-14H2,1-3H3,(H,23,26).
What are the key properties of 2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide?
2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide has a molecular weight of 449.35 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 132612705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).