2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C21H27BrN2O — CID 9263718

IUPAC2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCC[C@@H](NCC(=O)Nc1c(C)cccc1C(C)C)c1ccc(Br)cc1
InChIInChI=1S/C21H27BrN2O/c1-5-19(16-9-11-17(22)12-10-16)23-13-20(25)24-21-15(4)7-6-8-18(21)14(2)3/h6-12,14,19,23H,5,13H2,1-4H3,(H,24,25)/t19-/m1/s1
InChIKeyKTAMHEDOGNYSHC-LJQANCHMSA-N
MW403.36 g/mol
LogP5.56
Rot. Bonds7

About 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 9263718) has the molecular formula C21H27BrN2O and a molecular weight of 403.36 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID9263718
Molecular FormulaC21H27BrN2O
Molecular Weight403.36 g/mol
Exact Mass402.13
IUPAC Name2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCC[C@@H](NCC(=O)Nc1c(C)cccc1C(C)C)c1ccc(Br)cc1
InChIInChI=1S/C21H27BrN2O/c1-5-19(16-9-11-17(22)12-10-16)23-13-20(25)24-21-15(4)7-6-8-18(21)14(2)3/h6-12,14,19,23H,5,13H2,1-4H3,(H,24,25)/t19-/m1/s1
InChIKeyKTAMHEDOGNYSHC-LJQANCHMSA-N
XLogP5.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.36
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
CID 9263477
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9133481
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263511
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 9263568
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9263873
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(4-acetylphenyl)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]acetamide
CID 9263772
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9263205
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8918453
methyl 2-[1-(4-bromophenyl)propylamino]acetate
CID 43177477

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 9263718) is 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is CC[C@@H](NCC(=O)Nc1c(C)cccc1C(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is KTAMHEDOGNYSHC-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27BrN2O/c1-5-19(16-9-11-17(22)12-10-16)23-13-20(25)24-21-15(4)7-6-8-18(21)14(2)3/h6-12,14,19,23H,5,13H2,1-4H3,(H,24,25)/t19-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 403.36 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 9263718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).