N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide

C17H24BrN3O3 — CID 46677486

IUPACN-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N1CCOC(C)C1
InChIInChI=1S/C17H24BrN3O3/c1-12-8-14(18)4-5-15(12)19-16(22)10-20(3)11-17(23)21-6-7-24-13(2)9-21/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,19,22)
InChIKeyZISOBUQRVBZEBT-UHFFFAOYSA-N
MW398.30 g/mol
LogP1.88
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide

N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide (PubChem CID 46677486) has the molecular formula C17H24BrN3O3 and a molecular weight of 398.30 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide
PubChem CID46677486
Molecular FormulaC17H24BrN3O3
Molecular Weight398.30 g/mol
Exact Mass397.10
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N1CCOC(C)C1
InChIInChI=1S/C17H24BrN3O3/c1-12-8-14(18)4-5-15(12)19-16(22)10-20(3)11-17(23)21-6-7-24-13(2)9-21/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,19,22)
InChIKeyZISOBUQRVBZEBT-UHFFFAOYSA-N
XLogP1.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 8790519
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 46555969
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-methylacetamide
CID 8539797
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9303478
N-(4-bromo-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944464
(3S,5S)-N-(4-bromo-2-methylphenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 51945173
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974436
4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 31378107
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 31378015
2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158463
N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711369

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide (CID 46677486) is N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide is Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)N1CCOC(C)C1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide?
The InChIKey is ZISOBUQRVBZEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O3/c1-12-8-14(18)4-5-15(12)19-16(22)10-20(3)11-17(23)21-6-7-24-13(2)9-21/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,19,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide has a molecular weight of 398.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 46677486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).