2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

C22H28BrN3O5 — CID 26582779

IUPAC2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CN(C)CC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C22H28BrN3O5/c1-14-8-16(23)6-7-17(14)25-22(28)13-26(2)12-21(27)24-11-15-9-19(30-4)20(31-5)10-18(15)29-3/h6-10H,11-13H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyOADPJIYDVHOAJN-UHFFFAOYSA-N
MW494.39 g/mol
LogP2.97
Rot. Bonds10

About 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 26582779) has the molecular formula C22H28BrN3O5 and a molecular weight of 494.39 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID26582779
Molecular FormulaC22H28BrN3O5
Molecular Weight494.39 g/mol
Exact Mass493.12
IUPAC Name2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CN(C)CC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C22H28BrN3O5/c1-14-8-16(23)6-7-17(14)25-22(28)13-26(2)12-21(27)24-11-15-9-19(30-4)20(31-5)10-18(15)29-3/h6-10H,11-13H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyOADPJIYDVHOAJN-UHFFFAOYSA-N
XLogP2.97
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946965
methyl 3-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4-methylbenzoate
CID 32701380
2-(4-bromo-N,3-dimethylanilino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 86964320
N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9303478
N-(4-bromo-2-methylphenyl)-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-methylamino]acetamide
CID 31304940
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8552071
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-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide
CID 30867221
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 25442603
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821107

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (CID 26582779) is 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(OC)c(OC)cc1CNC(=O)CN(C)CC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is OADPJIYDVHOAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN3O5/c1-14-8-16(23)6-7-17(14)25-22(28)13-26(2)12-21(27)24-11-15-9-19(30-4)20(31-5)10-18(15)29-3/h6-10H,11-13H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 494.39 g/mol, XLogP of 2.97, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 26582779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).