2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide

C17H24BrN3O3 — CID 113178152

IUPAC2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCC(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(Br)c(C)c1
InChIInChI=1S/C17H24BrN3O3/c1-13-11-15(3-4-16(13)18)21(14(2)22)12-17(23)19-5-6-20-7-9-24-10-8-20/h3-4,11H,5-10,12H2,1-2H3,(H,19,23)
InChIKeyYRNHQNKZQKTBBV-UHFFFAOYSA-N
MW398.30 g/mol
LogP1.56
Rot. Bonds6

About 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide

2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 113178152) has the molecular formula C17H24BrN3O3 and a molecular weight of 398.30 g/mol. Its IUPAC name is 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID113178152
Molecular FormulaC17H24BrN3O3
Molecular Weight398.30 g/mol
Exact Mass397.10
IUPAC Name2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCC(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(Br)c(C)c1
InChIInChI=1S/C17H24BrN3O3/c1-13-11-15(3-4-16(13)18)21(14(2)22)12-17(23)19-5-6-20-7-9-24-10-8-20/h3-4,11H,5-10,12H2,1-2H3,(H,19,23)
InChIKeyYRNHQNKZQKTBBV-UHFFFAOYSA-N
XLogP1.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113171303
methyl 4-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate
CID 113176363
2-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113181389
3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113127193
2-(N-acetyl-3-bromo-4-methylanilino)-N-propylacetamide
CID 113173025
methyl 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate
CID 113176051
N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113178154
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113163762
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110770137
2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110305506
N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944137
3-(N-acetyl-4-bromo-3-methylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113132786

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide (CID 113178152) is 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide is CC(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(Br)c(C)c1.
What is the InChIKey of 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is YRNHQNKZQKTBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O3/c1-13-11-15(3-4-16(13)18)21(14(2)22)12-17(23)19-5-6-20-7-9-24-10-8-20/h3-4,11H,5-10,12H2,1-2H3,(H,19,23).
What are the key properties of 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 398.30 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 113178152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).