diethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate

C15H17Cl2NO5 — CID 17435918

IUPACdiethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate
SMILESCCOC(=O)C(NC(=O)Cc1c(Cl)cccc1Cl)C(=O)OCC
InChIInChI=1S/C15H17Cl2NO5/c1-3-22-14(20)13(15(21)23-4-2)18-12(19)8-9-10(16)6-5-7-11(9)17/h5-7,13H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyYGYLTNONXOJNSV-UHFFFAOYSA-N
MW362.21 g/mol
LogP2.15
Rot. Bonds7

About diethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate

diethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate (PubChem CID 17435918) has the molecular formula C15H17Cl2NO5 and a molecular weight of 362.21 g/mol. Its IUPAC name is diethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate.

Molecular Properties

Compound Namediethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate
PubChem CID17435918
Molecular FormulaC15H17Cl2NO5
Molecular Weight362.21 g/mol
Exact Mass361.05
IUPAC Namediethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate
SMILESCCOC(=O)C(NC(=O)Cc1c(Cl)cccc1Cl)C(=O)OCC
InChIInChI=1S/C15H17Cl2NO5/c1-3-22-14(20)13(15(21)23-4-2)18-12(19)8-9-10(16)6-5-7-11(9)17/h5-7,13H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyYGYLTNONXOJNSV-UHFFFAOYSA-N
XLogP2.15
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanoate
CID 19785916
3-[[2-(2,6-dichlorophenyl)acetyl]amino]butanoic acid
CID 43092444
2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-phenylacetamide
CID 51289820
ethyl N-[N-[2-(2,6-dichlorophenyl)acetyl]carbamimidoyl]carbamate
CID 135565040
N-(1-amino-2-methylpropan-2-yl)-2-(2,6-dichlorophenyl)acetamide
CID 119524754
2-(2,6-dichlorophenyl)-N-[(E)-N'-methoxycarbamimidoyl]acetamide
CID 135493715
methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423692
2-(2,6-dichlorophenyl)-N-(2,6-diethylphenyl)acetamide
CID 7700454
ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 54960145
3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide
CID 133225006
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide
CID 8750460
ethyl N-[(2,6-dichlorophenyl)-(ethoxycarbonylamino)methyl]carbamate
CID 124926176

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate?
The IUPAC name of diethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate (CID 17435918) is diethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate.
What is the SMILES notation for diethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate?
The canonical SMILES for diethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate is CCOC(=O)C(NC(=O)Cc1c(Cl)cccc1Cl)C(=O)OCC.
What is the InChIKey of diethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate?
The InChIKey is YGYLTNONXOJNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO5/c1-3-22-14(20)13(15(21)23-4-2)18-12(19)8-9-10(16)6-5-7-11(9)17/h5-7,13H,3-4,8H2,1-2H3,(H,18,19).
What are the key properties of diethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate?
diethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate has a molecular weight of 362.21 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]propanedioate is sourced from PubChem (CID 17435918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).