[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate

C21H22ClN3O6 — CID 30055689

IUPAC[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H22ClN3O6/c1-25(12-18(26)24-16-9-5-4-8-15(16)22)19(27)13-31-20(28)11-23-21(29)14-7-3-6-10-17(14)30-2/h3-10H,11-13H2,1-2H3,(H,23,29)(H,24,26)
InChIKeyXYPFPQPAXIPBOX-UHFFFAOYSA-N
MW447.88 g/mol
LogP1.72
Rot. Bonds9

About [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate

[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate (PubChem CID 30055689) has the molecular formula C21H22ClN3O6 and a molecular weight of 447.88 g/mol. Its IUPAC name is [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
PubChem CID30055689
Molecular FormulaC21H22ClN3O6
Molecular Weight447.88 g/mol
Exact Mass447.12
IUPAC Name[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H22ClN3O6/c1-25(12-18(26)24-16-9-5-4-8-15(16)22)19(27)13-31-20(28)11-23-21(29)14-7-3-6-10-17(14)30-2/h3-10H,11-13H2,1-2H3,(H,23,29)(H,24,26)
InChIKeyXYPFPQPAXIPBOX-UHFFFAOYSA-N
XLogP1.72
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.88
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 7783318
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 7851347
N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 9409680
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317396
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2665829
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 7862045
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24981037
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methylbenzoate
CID 7972255
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717375
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 2531594
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 35985498
N-(2-chlorophenyl)-2-[[2-(2-fluorophenoxy)acetyl]-methylamino]acetamide
CID 7434026

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate (CID 30055689) is [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate is COc1ccccc1C(=O)NCC(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The InChIKey is XYPFPQPAXIPBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O6/c1-25(12-18(26)24-16-9-5-4-8-15(16)22)19(27)13-31-20(28)11-23-21(29)14-7-3-6-10-17(14)30-2/h3-10H,11-13H2,1-2H3,(H,23,29)(H,24,26).
What are the key properties of [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate has a molecular weight of 447.88 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 30055689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).