2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide

C23H30BrN3O4 — CID 66539048

IUPAC2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(Br)c(CNCCN2CCOCC2)c1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H30BrN3O4/c1-17-3-5-18(6-4-17)26-22(28)16-31-23-19(20(24)7-8-21(23)29-2)15-25-9-10-27-11-13-30-14-12-27/h3-8,25H,9-16H2,1-2H3,(H,26,28)
InChIKeyGWXFHDPKTKCHFM-UHFFFAOYSA-N
MW492.41 g/mol
LogP3.21
Rot. Bonds10

About 2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide

2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 66539048) has the molecular formula C23H30BrN3O4 and a molecular weight of 492.41 g/mol. Its IUPAC name is 2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
PubChem CID66539048
Molecular FormulaC23H30BrN3O4
Molecular Weight492.41 g/mol
Exact Mass491.14
IUPAC Name2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(Br)c(CNCCN2CCOCC2)c1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H30BrN3O4/c1-17-3-5-18(6-4-17)26-22(28)16-31-23-19(20(24)7-8-21(23)29-2)15-25-9-10-27-11-13-30-14-12-27/h3-8,25H,9-16H2,1-2H3,(H,26,28)
InChIKeyGWXFHDPKTKCHFM-UHFFFAOYSA-N
XLogP3.21
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 66538545
2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66543803
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine
CID 66538540
2-[2-[(1,3-benzodioxol-5-ylamino)methyl]-3-bromo-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66543477
2-(3-bromo-2-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 66529290
2-[3-bromo-2-[(3,5-dichloro-4-hydroxyanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66543478
2-[2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 2981319
N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride
CID 17053452
2-(2-methoxyphenoxy)-N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]acetamide
CID 113025655
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
2-[2-chloro-4-[(3-chloro-4-morpholin-4-ylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539332
2-[2-bromo-6-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539242

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide (CID 66539048) is 2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide is COc1ccc(Br)c(CNCCN2CCOCC2)c1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is GWXFHDPKTKCHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrN3O4/c1-17-3-5-18(6-4-17)26-22(28)16-31-23-19(20(24)7-8-21(23)29-2)15-25-9-10-27-11-13-30-14-12-27/h3-8,25H,9-16H2,1-2H3,(H,26,28).
What are the key properties of 2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide?
2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 492.41 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-6-methoxy-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 66539048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).