diethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate

C15H19NO7 — CID 108739449

IUPACdiethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate
SMILESC=CCOC(=O)Nc1oc(C)c(C(=O)OCC)c1C(=O)OCC
InChIInChI=1S/C15H19NO7/c1-5-8-22-15(19)16-12-11(14(18)21-7-3)10(9(4)23-12)13(17)20-6-2/h5H,1,6-8H2,2-4H3,(H,16,19)
InChIKeyWVJZJYVORCOQIV-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.68
Rot. Bonds7

About diethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate

diethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate (PubChem CID 108739449) has the molecular formula C15H19NO7 and a molecular weight of 325.32 g/mol. Its IUPAC name is diethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate
PubChem CID108739449
Molecular FormulaC15H19NO7
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Namediethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate
SMILESC=CCOC(=O)Nc1oc(C)c(C(=O)OCC)c1C(=O)OCC
InChIInChI=1S/C15H19NO7/c1-5-8-22-15(19)16-12-11(14(18)21-7-3)10(9(4)23-12)13(17)20-6-2/h5H,1,6-8H2,2-4H3,(H,16,19)
InChIKeyWVJZJYVORCOQIV-UHFFFAOYSA-N
XLogP2.68
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
diethyl 2-(2-ethylhexoxycarbonylamino)-5-methylfuran-3,4-dicarboxylate
CID 108739457
diethyl 2-methyl-5-[(2,2,2-trichloroacetyl)amino]furan-3,4-dicarboxylate
CID 108739417
diethyl 2-[(2-cyanoacetyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762117
diethyl 2-[(2,6-dimethoxybenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762112
diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate
CID 108782631
diethyl 2-methyl-5-(4-phenoxybutanoylamino)furan-3,4-dicarboxylate
CID 108762203
diethyl 2-(3,3-diphenylpropanoylamino)-5-methylfuran-3,4-dicarboxylate
CID 108739525
diethyl 2-methyl-5-[(3-methylbenzoyl)amino]furan-3,4-dicarboxylate
CID 108739398
ethyl 4-acetyl-2-(2-bromopropanoylamino)-5-methylfuran-3-carboxylate
CID 108763504
diethyl 2-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]furan-3,4-dicarboxylate
CID 108762104
ethyl 4-acetyl-2-[(2-cyanoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763526

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate?
The IUPAC name of diethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate (CID 108739449) is diethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate is C=CCOC(=O)Nc1oc(C)c(C(=O)OCC)c1C(=O)OCC.
What is the InChIKey of diethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate?
The InChIKey is WVJZJYVORCOQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO7/c1-5-8-22-15(19)16-12-11(14(18)21-7-3)10(9(4)23-12)13(17)20-6-2/h5H,1,6-8H2,2-4H3,(H,16,19).
What are the key properties of diethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate?
diethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate has a molecular weight of 325.32 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methyl-5-(prop-2-enoxycarbonylamino)furan-3,4-dicarboxylate is sourced from PubChem (CID 108739449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).