N-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide

C14H21BrN2O3 — CID 111436417

IUPACN-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CCO)CC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C14H21BrN2O3/c1-11-9-12(3-4-13(11)15)16-14(19)10-17(5-7-18)6-8-20-2/h3-4,9,18H,5-8,10H2,1-2H3,(H,16,19)
InChIKeyYPTZBSWUXUYJIL-UHFFFAOYSA-N
MW345.24 g/mol
LogP1.64
Rot. Bonds8

About N-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide

N-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide (PubChem CID 111436417) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
PubChem CID111436417
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CCO)CC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C14H21BrN2O3/c1-11-9-12(3-4-13(11)15)16-14(19)10-17(5-7-18)6-8-20-2/h3-4,9,18H,5-8,10H2,1-2H3,(H,16,19)
InChIKeyYPTZBSWUXUYJIL-UHFFFAOYSA-N
XLogP1.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
CID 111436369
N-(3-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
CID 115641285
N-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678339
N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
CID 111103230
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008549
methyl 2-[benzyl-[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]acetate
CID 55820086
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
CID 82326677
2-[bis(2-methoxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 33483504
N-(4-bromo-3-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 2438529
N-(3-bromophenyl)-3-[2-hydroxyethyl(2-methoxyethyl)amino]propanamide
CID 111436409
2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
CID 113160116
2-[2-aminoethyl(methyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 55103559

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide (CID 111436417) is N-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide is COCCN(CCO)CC(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide?
The InChIKey is YPTZBSWUXUYJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-11-9-12(3-4-13(11)15)16-14(19)10-17(5-7-18)6-8-20-2/h3-4,9,18H,5-8,10H2,1-2H3,(H,16,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide has a molecular weight of 345.24 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 111436417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).