methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate

C14H19NO5 — CID 78977603

IUPACmethyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate
SMILESC=CCN(CC(=O)OCC)Cc1ccoc1C(=O)OC
InChIInChI=1S/C14H19NO5/c1-4-7-15(10-12(16)19-5-2)9-11-6-8-20-13(11)14(17)18-3/h4,6,8H,1,5,7,9-10H2,2-3H3
InChIKeyXPNGGVQYSCSFLN-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.62
Rot. Bonds8

About methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate

methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate (PubChem CID 78977603) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate
PubChem CID78977603
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate
SMILESC=CCN(CC(=O)OCC)Cc1ccoc1C(=O)OC
InChIInChI=1S/C14H19NO5/c1-4-7-15(10-12(16)19-5-2)9-11-6-8-20-13(11)14(17)18-3/h4,6,8H,1,5,7,9-10H2,2-3H3
InChIKeyXPNGGVQYSCSFLN-UHFFFAOYSA-N
XLogP1.62
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62011256
ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate
CID 115539193
3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide
CID 63571598
ethyl 2-[(2-bromo-5-fluorophenyl)methyl-prop-2-enylamino]acetate
CID 78942093
ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate
CID 78977833
ethyl 2-[(4-bromo-2-chlorophenyl)methyl-prop-2-enylamino]acetate
CID 113228495
ethyl 2-[(5-cyano-2-fluorophenyl)methyl-prop-2-enylamino]acetate
CID 78977896
ethyl 2-[(3-bromothiophen-2-yl)methyl-prop-2-enylamino]acetate
CID 78977546
ethyl 2-[(2-chloro-3-fluorophenyl)methyl-prop-2-enylamino]acetate
CID 112550232
methyl 3-[[2-aminoethyl(methyl)amino]methyl]furan-2-carboxylate
CID 62688268
ethyl 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl-prop-2-enylamino]acetate
CID 78964769
ethyl 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetate
CID 78979130

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate (CID 78977603) is methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate is C=CCN(CC(=O)OCC)Cc1ccoc1C(=O)OC.
What is the InChIKey of methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate?
The InChIKey is XPNGGVQYSCSFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-7-15(10-12(16)19-5-2)9-11-6-8-20-13(11)14(17)18-3/h4,6,8H,1,5,7,9-10H2,2-3H3.
What are the key properties of methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate?
methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 78977603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).