2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide

C22H27ClN4O3 — CID 17449089

IUPAC2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)N(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN4O3/c1-15-6-5-7-16(2)22(15)25-19(28)12-26(3)14-21(30)27(4)13-20(29)24-18-10-8-17(23)9-11-18/h5-11H,12-14H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyZQBFRVOZRRAAJI-UHFFFAOYSA-N
MW430.94 g/mol
LogP2.92
Rot. Bonds8

About 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 17449089) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID17449089
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC Name2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)N(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN4O3/c1-15-6-5-7-16(2)22(15)25-19(28)12-26(3)14-21(30)27(4)13-20(29)24-18-10-8-17(23)9-11-18/h5-11H,12-14H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyZQBFRVOZRRAAJI-UHFFFAOYSA-N
XLogP2.92
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide with MolForge

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Related Compounds

2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46601522
N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide
CID 8816054
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2699943
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9166949
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
N-tert-butyl-2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 8767892
2-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 9197047
2,4-dichloro-N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 27788350
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 4781646

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 17449089) is 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)CC(=O)N(C)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is ZQBFRVOZRRAAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c1-15-6-5-7-16(2)22(15)25-19(28)12-26(3)14-21(30)27(4)13-20(29)24-18-10-8-17(23)9-11-18/h5-11H,12-14H2,1-4H3,(H,24,29)(H,25,28).
What are the key properties of 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 430.94 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 17449089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).