2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide

C21H25Cl2N3O4 — CID 38508447

IUPAC2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C21H25Cl2N3O4/c1-4-29-14-9-10-18(30-5-2)17(11-14)24-19(27)12-26(3)13-20(28)25-21-15(22)7-6-8-16(21)23/h6-11H,4-5,12-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyNXZJWSRTWLUYRE-UHFFFAOYSA-N
MW454.35 g/mol
LogP4.30
Rot. Bonds10

About 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide (PubChem CID 38508447) has the molecular formula C21H25Cl2N3O4 and a molecular weight of 454.35 g/mol. Its IUPAC name is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide
PubChem CID38508447
Molecular FormulaC21H25Cl2N3O4
Molecular Weight454.35 g/mol
Exact Mass453.12
IUPAC Name2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C21H25Cl2N3O4/c1-4-29-14-9-10-18(30-5-2)17(11-14)24-19(27)12-26(3)13-20(28)25-21-15(22)7-6-8-16(21)23/h6-11H,4-5,12-13H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyNXZJWSRTWLUYRE-UHFFFAOYSA-N
XLogP4.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.35
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 24681253
2-(2-chlorophenyl)-N-(2,5-diethoxyphenyl)acetamide
CID 26179955
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 2112863
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9222402
N-(2,5-diethoxyphenyl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]acetamide
CID 24565625
2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 38508585
2-(N-acetyl-4-ethoxyanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174005
N-(2,6-dichlorophenyl)-2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]acetamide
CID 9287046
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-(2-chlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799254
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 55351296
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide (CID 38508447) is 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide is CCOc1ccc(OCC)c(NC(=O)CN(C)CC(=O)Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide?
The InChIKey is NXZJWSRTWLUYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O4/c1-4-29-14-9-10-18(30-5-2)17(11-14)24-19(27)12-26(3)13-20(28)25-21-15(22)7-6-8-16(21)23/h6-11H,4-5,12-13H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide?
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide has a molecular weight of 454.35 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,5-diethoxyphenyl)acetamide is sourced from PubChem (CID 38508447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).