N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide

C19H23BrN2O2 — CID 26426433

IUPACN-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
SMILESCc1cccc(OCCN(C)CC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C19H23BrN2O2/c1-14-5-4-6-17(11-14)24-10-9-22(3)13-19(23)21-18-8-7-16(20)12-15(18)2/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,23)
InChIKeyILXKSNGKUFKCQU-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.02
Rot. Bonds7

About N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide

N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide (PubChem CID 26426433) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
PubChem CID26426433
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
SMILESCc1cccc(OCCN(C)CC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C19H23BrN2O2/c1-14-5-4-6-17(11-14)24-10-9-22(3)13-19(23)21-18-8-7-16(20)12-15(18)2/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,23)
InChIKeyILXKSNGKUFKCQU-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 9221714
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197449
N-(2-ethylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 27121748
N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154737
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426089
N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide
CID 8793773
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide
CID 27121782
2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 8814616
2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252759
N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 17395169
N-[(2,4-dimethylphenyl)carbamoyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide
CID 55533625

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide (CID 26426433) is N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide is Cc1cccc(OCCN(C)CC(=O)Nc2ccc(Br)cc2C)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide?
The InChIKey is ILXKSNGKUFKCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-14-5-4-6-17(11-14)24-10-9-22(3)13-19(23)21-18-8-7-16(20)12-15(18)2/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,23).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide has a molecular weight of 391.31 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide is sourced from PubChem (CID 26426433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).