N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide

C20H23BrN2O3 — CID 46761926

IUPACN-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide
SMILESCC(=O)N(C)c1cccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)c1
InChIInChI=1S/C20H23BrN2O3/c1-12-9-16(21)10-13(2)19(12)26-14(3)20(25)22-17-7-6-8-18(11-17)23(5)15(4)24/h6-11,14H,1-5H3,(H,22,25)
InChIKeyCFTRUTMKFKMQGZ-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.45
Rot. Bonds5

About N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide

N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide (PubChem CID 46761926) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide
PubChem CID46761926
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC NameN-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide
SMILESCC(=O)N(C)c1cccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)c1
InChIInChI=1S/C20H23BrN2O3/c1-12-9-16(21)10-13(2)19(12)26-14(3)20(25)22-17-7-6-8-18(11-17)23(5)15(4)24/h6-11,14H,1-5H3,(H,22,25)
InChIKeyCFTRUTMKFKMQGZ-UHFFFAOYSA-N
XLogP4.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide
CID 46761865
N-(4-acetamidophenyl)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 4960935
(2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 7917269
3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-methylbenzamide
CID 17233132
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide
CID 43912153
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 46761948
(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
CID 119331740
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 17231402
(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 42427236
N-benzyl-3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]benzamide
CID 43887141
N-[4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]-2-methylbenzamide
CID 17251645
3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231878

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide?
The IUPAC name of N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide (CID 46761926) is N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide?
The canonical SMILES for N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide is CC(=O)N(C)c1cccc(NC(=O)C(C)Oc2c(C)cc(Br)cc2C)c1.
What is the InChIKey of N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide?
The InChIKey is CFTRUTMKFKMQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-12-9-16(21)10-13(2)19(12)26-14(3)20(25)22-17-7-6-8-18(11-17)23(5)15(4)24/h6-11,14H,1-5H3,(H,22,25).
What are the key properties of N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide?
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide has a molecular weight of 419.32 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2,6-dimethylphenoxy)propanamide is sourced from PubChem (CID 46761926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).