ethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate

C16H28N2O6 — CID 57320691

IUPACethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate
SMILESCCOC(=O)C(CCC(C=O)N1CCOCC1)(NC(C)=O)OCC
InChIInChI=1S/C16H28N2O6/c1-4-23-15(21)16(24-5-2,17-13(3)20)7-6-14(12-19)18-8-10-22-11-9-18/h12,14H,4-11H2,1-3H3,(H,17,20)
InChIKeyVBGZGEUCONKELT-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.10
Rot. Bonds10

About ethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate

ethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate (PubChem CID 57320691) has the molecular formula C16H28N2O6 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate.

Molecular Properties

Compound Nameethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate
PubChem CID57320691
Molecular FormulaC16H28N2O6
Molecular Weight344.41 g/mol
Exact Mass344.19
IUPAC Nameethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate
SMILESCCOC(=O)C(CCC(C=O)N1CCOCC1)(NC(C)=O)OCC
InChIInChI=1S/C16H28N2O6/c1-4-23-15(21)16(24-5-2,17-13(3)20)7-6-14(12-19)18-8-10-22-11-9-18/h12,14H,4-11H2,1-3H3,(H,17,20)
InChIKeyVBGZGEUCONKELT-UHFFFAOYSA-N
XLogP0.10
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-2-morpholin-4-ylbutanal
CID 87837145
3-amino-2-morpholin-4-ylpropanal
CID 174706845
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
ethyl N-(1-morpholin-4-ylpropyl)carbamate
CID 67790508
ethyl 2-amino-2-methyl-4-(1,4-oxazepan-4-yl)butanoate
CID 62974765
N-(1-morpholin-4-ylethyl)acetamide
CID 20786322
ethyl 2-morpholin-4-ylnonanoate;hydrochloride
CID 117066801
4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid
CID 3312061
(1-morpholin-4-yl-2-oxoethyl) 2,2,2-trifluoroacetate
CID 87464062
ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate
CID 5125434
diethyl 2-morpholin-4-ylbut-2-enedioate
CID 54498414
diethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate
CID 21204648

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate?
The IUPAC name of ethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate (CID 57320691) is ethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate.
What is the SMILES notation for ethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate?
The canonical SMILES for ethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate is CCOC(=O)C(CCC(C=O)N1CCOCC1)(NC(C)=O)OCC.
What is the InChIKey of ethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate?
The InChIKey is VBGZGEUCONKELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O6/c1-4-23-15(21)16(24-5-2,17-13(3)20)7-6-14(12-19)18-8-10-22-11-9-18/h12,14H,4-11H2,1-3H3,(H,17,20).
What are the key properties of ethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate?
ethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate has a molecular weight of 344.41 g/mol, XLogP of 0.10, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-2-ethoxy-5-morpholin-4-yl-6-oxohexanoate is sourced from PubChem (CID 57320691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).