diethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate

C17H30N2O6 — CID 23206144

IUPACdiethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate
SMILESCCOC(=O)C(CCCCN1CCOCC1)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C17H30N2O6/c1-4-24-15(21)17(18-14(3)20,16(22)25-5-2)8-6-7-9-19-10-12-23-13-11-19/h4-13H2,1-3H3,(H,18,20)
InChIKeyYOHVPGYWPRPQIR-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.49
Rot. Bonds10

About diethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate

diethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate (PubChem CID 23206144) has the molecular formula C17H30N2O6 and a molecular weight of 358.44 g/mol. Its IUPAC name is diethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate
PubChem CID23206144
Molecular FormulaC17H30N2O6
Molecular Weight358.44 g/mol
Exact Mass358.21
IUPAC Namediethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate
SMILESCCOC(=O)C(CCCCN1CCOCC1)(NC(C)=O)C(=O)OCC
InChIInChI=1S/C17H30N2O6/c1-4-24-15(21)17(18-14(3)20,16(22)25-5-2)8-6-7-9-19-10-12-23-13-11-19/h4-13H2,1-3H3,(H,18,20)
InChIKeyYOHVPGYWPRPQIR-UHFFFAOYSA-N
XLogP0.49
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(methoxymethyl)piperidine-2-carboxylate
CID 117272128
1-Acetyl-2-ethoxycarbonylpiperidine-2-carboxylic acid
CID 85844314
Diethyl acetamido[4-[2-oxo-3-oxazolidinyl]butyl]malonate
CID 537221
Diethyl 1-acetylpiperidine-2,2-dicarboxylate
CID 85844311
Diethyl 2-butyl-2-formamidopropanedioate
CID 131864521
Diethyl 2-acetamido-2-[3-(dimethylamino)propyl]propanedioate
CID 18975848
1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate
CID 22069221
2-Acetamido-2-ethoxycarbonyl-6-piperidin-1-ylhexanoic acid
CID 22401127
Diethyl 2-acetamido-2-(4-pyrrolidin-1-ylbutyl)propanedioate
CID 23206145
Diethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate
CID 23206147
Diethyl 2-acetamido-2-[4-(4-methylpiperazin-1-yl)butyl]propanedioate
CID 23206148
Diethyl 2-acetamido-2-(4-piperidin-1-ylbutyl)propanedioate
CID 23206150

Frequently Asked Questions

What is the IUPAC name of diethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate?
The IUPAC name of diethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate (CID 23206144) is diethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate.
What is the SMILES notation for diethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate?
The canonical SMILES for diethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate is CCOC(=O)C(CCCCN1CCOCC1)(NC(C)=O)C(=O)OCC.
What is the InChIKey of diethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate?
The InChIKey is YOHVPGYWPRPQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O6/c1-4-24-15(21)17(18-14(3)20,16(22)25-5-2)8-6-7-9-19-10-12-23-13-11-19/h4-13H2,1-3H3,(H,18,20).
What are the key properties of diethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate?
diethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate has a molecular weight of 358.44 g/mol, XLogP of 0.49, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate is sourced from PubChem (CID 23206144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).