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

C23H29BrN2O2 — CID 133232735

IUPAC2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide
SMILESCc1ccc(CC(=O)N(Cc2ccc(Br)cc2)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C23H29BrN2O2/c1-16-6-8-18(9-7-16)14-21(27)26(15-19-10-12-20(24)13-11-19)17(2)22(28)25-23(3,4)5/h6-13,17H,14-15H2,1-5H3,(H,25,28)
InChIKeyXXOGSEFPUWTRJP-UHFFFAOYSA-N
MW445.40 g/mol
LogP4.63
Rot. Bonds6

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

2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide (PubChem CID 133232735) has the molecular formula C23H29BrN2O2 and a molecular weight of 445.40 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide
PubChem CID133232735
Molecular FormulaC23H29BrN2O2
Molecular Weight445.40 g/mol
Exact Mass444.14
IUPAC Name2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide
SMILESCc1ccc(CC(=O)N(Cc2ccc(Br)cc2)C(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C23H29BrN2O2/c1-16-6-8-18(9-7-16)14-21(27)26(15-19-10-12-20(24)13-11-19)17(2)22(28)25-23(3,4)5/h6-13,17H,14-15H2,1-5H3,(H,25,28)
InChIKeyXXOGSEFPUWTRJP-UHFFFAOYSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[[2-(2-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132702922
2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide
CID 132719995
2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 133259564
2-[[2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-bromophenyl)methyl]amino]-N-tert-butylpropanamide
CID 133146185
2-[(3-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 133145829
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132702925
2-[(4-bromophenyl)methyl-[2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-tert-butylpropanamide
CID 133146183
2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide
CID 132763037
2-[(4-bromophenyl)methyl-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 133146340
N-tert-butyl-2-[(4-methylphenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]propanamide
CID 132710667
(2R)-2-[(4-bromophenyl)methyl-[2-(4-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-tert-butylpropanamide
CID 125110406
2-[(4-bromophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 133195052

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide (CID 133232735) is 2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide is Cc1ccc(CC(=O)N(Cc2ccc(Br)cc2)C(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide?
The InChIKey is XXOGSEFPUWTRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O2/c1-16-6-8-18(9-7-16)14-21(27)26(15-19-10-12-20(24)13-11-19)17(2)22(28)25-23(3,4)5/h6-13,17H,14-15H2,1-5H3,(H,25,28).
What are the key properties of 2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide?
2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide has a molecular weight of 445.40 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide is sourced from PubChem (CID 133232735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).