methyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate

C14H26N2O3 — CID 103267259

IUPACmethyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate
SMILESCC/C(=C/CNCC1CN(CC)CCO1)C(=O)OC
InChIInChI=1S/C14H26N2O3/c1-4-12(14(17)18-3)6-7-15-10-13-11-16(5-2)8-9-19-13/h6,13,15H,4-5,7-11H2,1-3H3/b12-6-
InChIKeyGZWWRNDFKFJPMT-SDQBBNPISA-N
MW270.37 g/mol
LogP0.81
Rot. Bonds7

About methyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate

methyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate (PubChem CID 103267259) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate
PubChem CID103267259
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate
SMILESCC/C(=C/CNCC1CN(CC)CCO1)C(=O)OC
InChIInChI=1S/C14H26N2O3/c1-4-12(14(17)18-3)6-7-15-10-13-11-16(5-2)8-9-19-13/h6,13,15H,4-5,7-11H2,1-3H3/b12-6-
InChIKeyGZWWRNDFKFJPMT-SDQBBNPISA-N
XLogP0.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate with MolForge

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Related Compounds

2-Methyl-3-morpholin-2-ylprop-2-enamide
CID 68744206
(E)-2-methyl-3-morpholin-2-ylprop-2-enamide
CID 68746663
ethyl (2Z)-2-(3-methoxypiperidin-4-ylidene)acetate
CID 134280698
Ethyl 2-(3-methoxypiperidin-4-ylidene)acetate
CID 140846946
ethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate
CID 144930163
(E)-2-methyl-3-[(2R)-morpholin-2-yl]prop-2-enoic acid
CID 146608477
methyl 2-methyl-3-[(2R,3R)-2-methylmorpholin-3-yl]prop-2-enoate
CID 173601683
2-(Morpholin-2-ylmethylidene)butanamide
CID 174468335
2-(Morpholin-2-ylmethylidene)butanoic acid
CID 174850935
Ethyl 2-methyl-3-morpholin-2-ylprop-2-enoate
CID 175081118
Methyl 4-(2,2-dimethylmorpholin-4-yl)-2-ethylbut-2-enoate
CID 77100761
Methyl 2-ethyl-4-(3-ethylmorpholin-4-yl)but-2-enoate
CID 77100873

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate?
The IUPAC name of methyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate (CID 103267259) is methyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate.
What is the SMILES notation for methyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate?
The canonical SMILES for methyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate is CC/C(=C/CNCC1CN(CC)CCO1)C(=O)OC.
What is the InChIKey of methyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate?
The InChIKey is GZWWRNDFKFJPMT-SDQBBNPISA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-12(14(17)18-3)6-7-15-10-13-11-16(5-2)8-9-19-13/h6,13,15H,4-5,7-11H2,1-3H3/b12-6-.
What are the key properties of methyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate?
methyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate has a molecular weight of 270.37 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate is sourced from PubChem (CID 103267259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).