2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide

C20H24BrN3O3 — CID 2113767

IUPAC2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C20H24BrN3O3/c1-4-24(12-19(25)22-15-6-5-7-17(11-15)27-3)13-20(26)23-16-8-9-18(21)14(2)10-16/h5-11H,4,12-13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyCCVGNVDYXOHKGM-UHFFFAOYSA-N
MW434.33 g/mol
LogP3.67
Rot. Bonds8

About 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 2113767) has the molecular formula C20H24BrN3O3 and a molecular weight of 434.33 g/mol. Its IUPAC name is 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID2113767
Molecular FormulaC20H24BrN3O3
Molecular Weight434.33 g/mol
Exact Mass433.10
IUPAC Name2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C20H24BrN3O3/c1-4-24(12-19(25)22-15-6-5-7-17(11-15)27-3)13-20(26)23-16-8-9-18(21)14(2)10-16/h5-11H,4,12-13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyCCVGNVDYXOHKGM-UHFFFAOYSA-N
XLogP3.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)ethanediamide
CID 3691945
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 4788831
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464473
N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6468739
1-[1-[(2-Bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea
CID 1450111
N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide
CID 2529661
N-(4-bromophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 2548686
2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 2567999
N-(4-butan-2-ylphenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 3648768
N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 4883962
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8592415

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide (CID 2113767) is 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is CCVGNVDYXOHKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3/c1-4-24(12-19(25)22-15-6-5-7-17(11-15)27-3)13-20(26)23-16-8-9-18(21)14(2)10-16/h5-11H,4,12-13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 434.33 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2113767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).