2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide

C24H29BrN2O3 — CID 4961027

IUPAC2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide
SMILESCc1cc(Br)cc(C)c1OC(C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C24H29BrN2O3/c1-15-13-18(25)14-16(2)22(15)30-17(3)23(28)27-21-12-8-7-11-20(21)24(29)26-19-9-5-4-6-10-19/h7-8,11-14,17,19H,4-6,9-10H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyLLHCYSMREAPXMH-UHFFFAOYSA-N
MW473.41 g/mol
LogP5.53
Rot. Bonds6

About 2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide

2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide (PubChem CID 4961027) has the molecular formula C24H29BrN2O3 and a molecular weight of 473.41 g/mol. Its IUPAC name is 2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide
PubChem CID4961027
Molecular FormulaC24H29BrN2O3
Molecular Weight473.41 g/mol
Exact Mass472.14
IUPAC Name2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide
SMILESCc1cc(Br)cc(C)c1OC(C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C24H29BrN2O3/c1-15-13-18(25)14-16(2)22(15)30-17(3)23(28)27-21-12-8-7-11-20(21)24(29)26-19-9-5-4-6-10-19/h7-8,11-14,17,19H,4-6,9-10H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyLLHCYSMREAPXMH-UHFFFAOYSA-N
XLogP5.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.41
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[[(2S)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzamide
CID 9297462
N-cyclohexyl-2-[[(2S)-2-(2,4-dimethylphenoxy)propanoyl]amino]benzamide
CID 9180227
N-cyclohexyl-2-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 2236056
N-cyclohexyl-2-[2-(2,3-dimethylphenoxy)propanoylamino]benzamide
CID 132763349
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657
N-cyclohexyl-2-[2-(2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
CID 4958547
N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide
CID 26905849
N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 43077712
N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide
CID 17251645
N-[2-(cyclohexylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 100720174
2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
CID 24693610

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide?
The IUPAC name of 2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide (CID 4961027) is 2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide is Cc1cc(Br)cc(C)c1OC(C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide?
The InChIKey is LLHCYSMREAPXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O3/c1-15-13-18(25)14-16(2)22(15)30-17(3)23(28)27-21-12-8-7-11-20(21)24(29)26-19-9-5-4-6-10-19/h7-8,11-14,17,19H,4-6,9-10H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide?
2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide has a molecular weight of 473.41 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-cyclohexylbenzamide is sourced from PubChem (CID 4961027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).