2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

C23H29BrN2O3 — CID 133194783

IUPAC2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCc1ccc(OCC(=O)N(Cc2cccc(Br)c2)C(C)C(=O)NC(C)C)c(C)c1
InChIInChI=1S/C23H29BrN2O3/c1-15(2)25-23(28)18(5)26(13-19-7-6-8-20(24)12-19)22(27)14-29-21-10-9-16(3)11-17(21)4/h6-12,15,18H,13-14H2,1-5H3,(H,25,28)
InChIKeyPWRPHVFTBGGFEQ-UHFFFAOYSA-N
MW461.40 g/mol
LogP4.39
Rot. Bonds8

About 2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 133194783) has the molecular formula C23H29BrN2O3 and a molecular weight of 461.40 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
PubChem CID133194783
Molecular FormulaC23H29BrN2O3
Molecular Weight461.40 g/mol
Exact Mass460.14
IUPAC Name2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCc1ccc(OCC(=O)N(Cc2cccc(Br)c2)C(C)C(=O)NC(C)C)c(C)c1
InChIInChI=1S/C23H29BrN2O3/c1-15(2)25-23(28)18(5)26(13-19-7-6-8-20(24)12-19)22(27)14-29-21-10-9-16(3)11-17(21)4/h6-12,15,18H,13-14H2,1-5H3,(H,25,28)
InChIKeyPWRPHVFTBGGFEQ-UHFFFAOYSA-N
XLogP4.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 133196171
(2S)-2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100565267
2-[(3-bromophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 133194782
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 133194720
2-[(3-bromophenyl)methyl-[2-(2-chlorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 133194635
2-[[2-(2,4-dimethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132661240
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 133194715
2-[(3-bromophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 133146027
2-[[2-(4-bromophenoxy)acetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 133194707
2-[(3-bromophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-methylpropanamide
CID 132612451
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657520
2-[benzyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-butan-2-ylpropanamide
CID 132704763

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (CID 133194783) is 2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is Cc1ccc(OCC(=O)N(Cc2cccc(Br)c2)C(C)C(=O)NC(C)C)c(C)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is PWRPHVFTBGGFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O3/c1-15(2)25-23(28)18(5)26(13-19-7-6-8-20(24)12-19)22(27)14-29-21-10-9-16(3)11-17(21)4/h6-12,15,18H,13-14H2,1-5H3,(H,25,28).
What are the key properties of 2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
2-[(3-bromophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 461.40 g/mol, XLogP of 4.39, 8 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-(2,4-dimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 133194783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).