2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide

C22H27BrN2O3 — CID 132612456

IUPAC2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1C
InChIInChI=1S/C22H27BrN2O3/c1-4-12-24-22(27)17(3)25(14-18-9-7-10-19(23)13-18)21(26)15-28-20-11-6-5-8-16(20)2/h5-11,13,17H,4,12,14-15H2,1-3H3,(H,24,27)
InChIKeyQBZQLTMIAYRGMA-UHFFFAOYSA-N
MW447.37 g/mol
LogP4.08
Rot. Bonds9

About 2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide

2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide (PubChem CID 132612456) has the molecular formula C22H27BrN2O3 and a molecular weight of 447.37 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide
PubChem CID132612456
Molecular FormulaC22H27BrN2O3
Molecular Weight447.37 g/mol
Exact Mass446.12
IUPAC Name2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1C
InChIInChI=1S/C22H27BrN2O3/c1-4-12-24-22(27)17(3)25(14-18-9-7-10-19(23)13-18)21(26)15-28-20-11-6-5-8-16(20)2/h5-11,13,17H,4,12,14-15H2,1-3H3,(H,24,27)
InChIKeyQBZQLTMIAYRGMA-UHFFFAOYSA-N
XLogP4.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
CID 132617171
2-[(3-bromophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 132612452
(2S)-2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100662880
2-[[2-(4-bromophenoxy)acetyl]-[(3-bromophenyl)methyl]amino]-N-propylpropanamide
CID 132620937
2-[(3-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide
CID 132612705
N-ethyl-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132655254
2-[(4-bromophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propylpropanamide
CID 132614229
2-[(3-bromophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 133194782
2-[(3-bromophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-butylpropanamide
CID 133151995
2-[(3-bromophenyl)methyl-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 132616983
2-[(2-fluorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide
CID 132762880
2-[(3-bromophenyl)methyl-[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 133211484

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide (CID 132612456) is 2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)COc1ccccc1C.
What is the InChIKey of 2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide?
The InChIKey is QBZQLTMIAYRGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O3/c1-4-12-24-22(27)17(3)25(14-18-9-7-10-19(23)13-18)21(26)15-28-20-11-6-5-8-16(20)2/h5-11,13,17H,4,12,14-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide?
2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide has a molecular weight of 447.37 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 132612456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).