bis(2-morpholin-4-ylethyl) but-2-enedioate

C16H26N2O6 — CID 69032977

IUPACbis(2-morpholin-4-ylethyl) but-2-enedioate
SMILESO=C(C=CC(=O)OCCN1CCOCC1)OCCN1CCOCC1
InChIInChI=1S/C16H26N2O6/c19-15(23-13-7-17-3-9-21-10-4-17)1-2-16(20)24-14-8-18-5-11-22-12-6-18/h1-2H,3-14H2
InChIKeyBBHXQLLQBRHOCD-UHFFFAOYSA-N
MW342.39 g/mol
LogP-0.71
Rot. Bonds8

About bis(2-morpholin-4-ylethyl) but-2-enedioate

bis(2-morpholin-4-ylethyl) but-2-enedioate (PubChem CID 69032977) has the molecular formula C16H26N2O6 and a molecular weight of 342.39 g/mol. Its IUPAC name is bis(2-morpholin-4-ylethyl) but-2-enedioate.

Molecular Properties

Compound Namebis(2-morpholin-4-ylethyl) but-2-enedioate
PubChem CID69032977
Molecular FormulaC16H26N2O6
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Namebis(2-morpholin-4-ylethyl) but-2-enedioate
SMILESO=C(C=CC(=O)OCCN1CCOCC1)OCCN1CCOCC1
InChIInChI=1S/C16H26N2O6/c19-15(23-13-7-17-3-9-21-10-4-17)1-2-16(20)24-14-8-18-5-11-22-12-6-18/h1-2H,3-14H2
InChIKeyBBHXQLLQBRHOCD-UHFFFAOYSA-N
XLogP-0.71
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate
CID 71711808
(E)-4-(4-morpholin-4-ylbutoxy)-4-oxobut-2-enoic acid
CID 71711598
4-(8-morpholin-4-yloctoxy)-4-oxobut-2-enoic acid
CID 154097579
1-O-ethyl 4-O-(3-morpholin-4-ylpropyl) but-2-enedioate
CID 78155177
4-(morpholin-4-ylmethoxy)-4-oxobut-2-enoic acid
CID 123954244
2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate
CID 797064
2-morpholin-4-ylethyl 2-bromoacetate
CID 118035535
2-morpholin-4-ylethyl but-3-enoate
CID 163582404
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677
4-O-[2-(azepan-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
CID 90453515
2-morpholin-4-ylethyl 2-iodobut-3-enoate
CID 162508454

Frequently Asked Questions

What is the IUPAC name of bis(2-morpholin-4-ylethyl) but-2-enedioate?
The IUPAC name of bis(2-morpholin-4-ylethyl) but-2-enedioate (CID 69032977) is bis(2-morpholin-4-ylethyl) but-2-enedioate.
What is the SMILES notation for bis(2-morpholin-4-ylethyl) but-2-enedioate?
The canonical SMILES for bis(2-morpholin-4-ylethyl) but-2-enedioate is O=C(C=CC(=O)OCCN1CCOCC1)OCCN1CCOCC1.
What is the InChIKey of bis(2-morpholin-4-ylethyl) but-2-enedioate?
The InChIKey is BBHXQLLQBRHOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6/c19-15(23-13-7-17-3-9-21-10-4-17)1-2-16(20)24-14-8-18-5-11-22-12-6-18/h1-2H,3-14H2.
What are the key properties of bis(2-morpholin-4-ylethyl) but-2-enedioate?
bis(2-morpholin-4-ylethyl) but-2-enedioate has a molecular weight of 342.39 g/mol, XLogP of -0.71, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-morpholin-4-ylethyl) but-2-enedioate is sourced from PubChem (CID 69032977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).