2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide

C22H27BrN2O3 — CID 43912153

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide
SMILESCc1cc(Br)cc(C)c1OC(C)C(=O)Nc1cccc(CCC(=O)N(C)C)c1
InChIInChI=1S/C22H27BrN2O3/c1-14-11-18(23)12-15(2)21(14)28-16(3)22(27)24-19-8-6-7-17(13-19)9-10-20(26)25(4)5/h6-8,11-13,16H,9-10H2,1-5H3,(H,24,27)
InChIKeyYQWVQWRHBOISTH-UHFFFAOYSA-N
MW447.37 g/mol
LogP4.49
Rot. Bonds7

About 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide

2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide (PubChem CID 43912153) has the molecular formula C22H27BrN2O3 and a molecular weight of 447.37 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide
PubChem CID43912153
Molecular FormulaC22H27BrN2O3
Molecular Weight447.37 g/mol
Exact Mass446.12
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide
SMILESCc1cc(Br)cc(C)c1OC(C)C(=O)Nc1cccc(CCC(=O)N(C)C)c1
InChIInChI=1S/C22H27BrN2O3/c1-14-11-18(23)12-15(2)21(14)28-16(3)22(27)24-19-8-6-7-17(13-19)9-10-20(26)25(4)5/h6-8,11-13,16H,9-10H2,1-5H3,(H,24,27)
InChIKeyYQWVQWRHBOISTH-UHFFFAOYSA-N
XLogP4.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 46761926
2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide
CID 43912158
(2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 7917269
N-benzyl-3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]benzamide
CID 43887141
3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
CID 17233132
N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 17231402
2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
CID 4961108
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4961087
3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231878
(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 42427236
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide (CID 43912153) is 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide is Cc1cc(Br)cc(C)c1OC(C)C(=O)Nc1cccc(CCC(=O)N(C)C)c1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide?
The InChIKey is YQWVQWRHBOISTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O3/c1-14-11-18(23)12-15(2)21(14)28-16(3)22(27)24-19-8-6-7-17(13-19)9-10-20(26)25(4)5/h6-8,11-13,16H,9-10H2,1-5H3,(H,24,27).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide has a molecular weight of 447.37 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide is sourced from PubChem (CID 43912153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).