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

C24H31BrN2O3 — CID 17196225

IUPAC4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C24H31BrN2O3/c1-6-12-27(13-7-2)24(29)19-8-10-21(11-9-19)26-23(28)18(5)30-22-16(3)14-20(25)15-17(22)4/h8-11,14-15,18H,6-7,12-13H2,1-5H3,(H,26,28)
InChIKeyPIGPRLKKSADYTM-UHFFFAOYSA-N
MW475.43 g/mol
LogP5.73
Rot. Bonds9

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

4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide (PubChem CID 17196225) has the molecular formula C24H31BrN2O3 and a molecular weight of 475.43 g/mol. Its IUPAC name is 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide
PubChem CID17196225
Molecular FormulaC24H31BrN2O3
Molecular Weight475.43 g/mol
Exact Mass474.15
IUPAC Name4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C24H31BrN2O3/c1-6-12-27(13-7-2)24(29)19-8-10-21(11-9-19)26-23(28)18(5)30-22-16(3)14-20(25)15-17(22)4/h8-11,14-15,18H,6-7,12-13H2,1-5H3,(H,26,28)
InChIKeyPIGPRLKKSADYTM-UHFFFAOYSA-N
XLogP5.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.43
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide
CID 17234385
4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-N,N-dipropylbenzamide
CID 17196160
N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 43878391
4-[2-(4-chlorophenoxy)propanoylamino]-N,N-dipropylbenzamide
CID 17196176
4-[2-(4-ethylphenoxy)propanoylamino]-N,N-dipropylbenzamide
CID 17196211
N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
CID 4961142
N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide
CID 17251645
(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 42427236
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4961087
N-[3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-4-chlorophenyl]butanamide
CID 17174576

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide (CID 17196225) is 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)cc1.
What is the InChIKey of 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide?
The InChIKey is PIGPRLKKSADYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrN2O3/c1-6-12-27(13-7-2)24(29)19-8-10-21(11-9-19)26-23(28)18(5)30-22-16(3)14-20(25)15-17(22)4/h8-11,14-15,18H,6-7,12-13H2,1-5H3,(H,26,28).
What are the key properties of 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide?
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide has a molecular weight of 475.43 g/mol, XLogP of 5.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N,N-dipropylbenzamide is sourced from PubChem (CID 17196225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).