ethyl 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylate

C17H19NO4 — CID 57165269

IUPACethyl 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(O)coc1NC1(c2ccc(C)cc2)CC1
InChIInChI=1S/C17H19NO4/c1-3-21-16(20)14-13(19)10-22-15(14)18-17(8-9-17)12-6-4-11(2)5-7-12/h4-7,10,18-19H,3,8-9H2,1-2H3
InChIKeyMYVKQEDHNOSUDW-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.57
Rot. Bonds5

About ethyl 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylate

ethyl 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylate (PubChem CID 57165269) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylate
PubChem CID57165269
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Nameethyl 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(O)coc1NC1(c2ccc(C)cc2)CC1
InChIInChI=1S/C17H19NO4/c1-3-21-16(20)14-13(19)10-22-15(14)18-17(8-9-17)12-6-4-11(2)5-7-12/h4-7,10,18-19H,3,8-9H2,1-2H3
InChIKeyMYVKQEDHNOSUDW-UHFFFAOYSA-N
XLogP3.57
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylate (CID 57165269) is ethyl 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylate is CCOC(=O)c1c(O)coc1NC1(c2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylate?
The InChIKey is MYVKQEDHNOSUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-21-16(20)14-13(19)10-22-15(14)18-17(8-9-17)12-6-4-11(2)5-7-12/h4-7,10,18-19H,3,8-9H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylate?
ethyl 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-[[1-(4-methylphenyl)cyclopropyl]amino]furan-3-carboxylate is sourced from PubChem (CID 57165269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).