methyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate

C14H26N2O3 — CID 77101100

IUPACmethyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate
SMILESCCC(=CCN(C)CC(=O)N(CC)CC)C(=O)OC
InChIInChI=1S/C14H26N2O3/c1-6-12(14(18)19-5)9-10-15(4)11-13(17)16(7-2)8-3/h9H,6-8,10-11H2,1-5H3
InChIKeyFSYQMRSWTHNVJX-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.30
Rot. Bonds8

About methyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate

methyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate (PubChem CID 77101100) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate
PubChem CID77101100
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate
SMILESCCC(=CCN(C)CC(=O)N(CC)CC)C(=O)OC
InChIInChI=1S/C14H26N2O3/c1-6-12(14(18)19-5)9-10-15(4)11-13(17)16(7-2)8-3/h9H,6-8,10-11H2,1-5H3
InChIKeyFSYQMRSWTHNVJX-UHFFFAOYSA-N
XLogP1.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate?
The IUPAC name of methyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate (CID 77101100) is methyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate.
What is the SMILES notation for methyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate?
The canonical SMILES for methyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate is CCC(=CCN(C)CC(=O)N(CC)CC)C(=O)OC.
What is the InChIKey of methyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate?
The InChIKey is FSYQMRSWTHNVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-6-12(14(18)19-5)9-10-15(4)11-13(17)16(7-2)8-3/h9H,6-8,10-11H2,1-5H3.
What are the key properties of methyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate?
methyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate has a molecular weight of 270.37 g/mol, XLogP of 1.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-ethylbut-2-enoate is sourced from PubChem (CID 77101100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).