2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide

C22H26ClN3O6 — CID 4603639

IUPAC2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCOCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O6/c1-30-12-11-26(22(29)15-32-19-7-3-16(23)4-8-19)14-21(28)24-13-20(27)25-17-5-9-18(31-2)10-6-17/h3-10H,11-15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyCNVIMAHDTROIBD-UHFFFAOYSA-N
MW463.92 g/mol
LogP1.96
Rot. Bonds12

About 2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide

2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide (PubChem CID 4603639) has the molecular formula C22H26ClN3O6 and a molecular weight of 463.92 g/mol. Its IUPAC name is 2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
PubChem CID4603639
Molecular FormulaC22H26ClN3O6
Molecular Weight463.92 g/mol
Exact Mass463.15
IUPAC Name2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCOCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O6/c1-30-12-11-26(22(29)15-32-19-7-3-16(23)4-8-19)14-21(28)24-13-20(27)25-17-5-9-18(31-2)10-6-17/h3-10H,11-15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyCNVIMAHDTROIBD-UHFFFAOYSA-N
XLogP1.96
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.92
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-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

2-[[2-[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 42770718
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 4625550
3,4,5-trimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3874759
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768959
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 5087215
N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 4167862
4-butoxy-N-(2-methoxyethyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3405435
methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate
CID 3689635
N-(2-methoxyethyl)-4-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3622960
N-(4-chlorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005237
N-(2-methoxyethyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 3432157
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide (CID 4603639) is 2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide is COCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is CNVIMAHDTROIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O6/c1-30-12-11-26(22(29)15-32-19-7-3-16(23)4-8-19)14-21(28)24-13-20(27)25-17-5-9-18(31-2)10-6-17/h3-10H,11-15H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide?
2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 463.92 g/mol, XLogP of 1.96, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 4603639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).