methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate

C15H15NO5 — CID 43774551

IUPACmethyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccccc1NCc1ccoc1C(=O)OC
InChIInChI=1S/C15H15NO5/c1-19-14(17)11-5-3-4-6-12(11)16-9-10-7-8-21-13(10)15(18)20-2/h3-8,16H,9H2,1-2H3
InChIKeyANWAQZCYCXAZDM-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.46
Rot. Bonds5

About methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate

methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate (PubChem CID 43774551) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate
PubChem CID43774551
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Namemethyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccccc1NCc1ccoc1C(=O)OC
InChIInChI=1S/C15H15NO5/c1-19-14(17)11-5-3-4-6-12(11)16-9-10-7-8-21-13(10)15(18)20-2/h3-8,16H,9H2,1-2H3
InChIKeyANWAQZCYCXAZDM-UHFFFAOYSA-N
XLogP2.46
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate
CID 43425518
methyl 3-[(2-cyanoanilino)methyl]furan-2-carboxylate
CID 43425461
methyl 3-[(2-ethylsulfanylanilino)methyl]furan-2-carboxylate
CID 60935939
methyl 3-[[2-(ethoxymethyl)anilino]methyl]furan-2-carboxylate
CID 43792103
methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
methyl 2-(1-benzofuran-3-ylmethylamino)benzoate
CID 80701199
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate
CID 43759661
methyl 3-[(4-hydroxy-2,5-dimethylanilino)methyl]furan-2-carboxylate
CID 106954118
methyl 2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841534
methyl 3-[(4-chloro-2-methylanilino)methyl]furan-2-carboxylate
CID 43766587
methyl 3-[(5-bromo-2,4-difluoroanilino)methyl]furan-2-carboxylate
CID 102853126

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate (CID 43774551) is methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate is COC(=O)c1ccccc1NCc1ccoc1C(=O)OC.
What is the InChIKey of methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate?
The InChIKey is ANWAQZCYCXAZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-19-14(17)11-5-3-4-6-12(11)16-9-10-7-8-21-13(10)15(18)20-2/h3-8,16H,9H2,1-2H3.
What are the key properties of methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate?
methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate is sourced from PubChem (CID 43774551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).