2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide

C23H29BrN2O3 — CID 132719995

IUPAC2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide
SMILESCc1ccc(CN(C(=O)COc2ccc(Br)cc2)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C23H29BrN2O3/c1-16-6-8-18(9-7-16)14-26(17(2)22(28)25-23(3,4)5)21(27)15-29-20-12-10-19(24)11-13-20/h6-13,17H,14-15H2,1-5H3,(H,25,28)
InChIKeyPSWHHLWZNBZWSH-UHFFFAOYSA-N
MW461.40 g/mol
LogP4.47
Rot. Bonds7

About 2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide

2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide (PubChem CID 132719995) has the molecular formula C23H29BrN2O3 and a molecular weight of 461.40 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide
PubChem CID132719995
Molecular FormulaC23H29BrN2O3
Molecular Weight461.40 g/mol
Exact Mass460.14
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide
SMILESCc1ccc(CN(C(=O)COc2ccc(Br)cc2)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C23H29BrN2O3/c1-16-6-8-18(9-7-16)14-26(17(2)22(28)25-23(3,4)5)21(27)15-29-20-12-10-19(24)11-13-20/h6-13,17H,14-15H2,1-5H3,(H,25,28)
InChIKeyPSWHHLWZNBZWSH-UHFFFAOYSA-N
XLogP4.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 132703128
2-[(3-bromophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 133146089
2-[(4-bromophenyl)methyl-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 133146340
2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide
CID 133232735
N-tert-butyl-2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132707171
2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 133146106
2-[(3-bromophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 133146028
(2R)-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100667870
2-[(4-bromophenyl)methyl-[2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-tert-butylpropanamide
CID 133146190
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]propanamide
CID 132709167
2-[benzyl-[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 132719999
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 100549094

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide (CID 132719995) is 2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide is Cc1ccc(CN(C(=O)COc2ccc(Br)cc2)C(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide?
The InChIKey is PSWHHLWZNBZWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O3/c1-16-6-8-18(9-7-16)14-26(17(2)22(28)25-23(3,4)5)21(27)15-29-20-12-10-19(24)11-13-20/h6-13,17H,14-15H2,1-5H3,(H,25,28).
What are the key properties of 2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide?
2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide has a molecular weight of 461.40 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide is sourced from PubChem (CID 132719995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).