ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate

C17H19NO3 — CID 4722679

IUPACethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(CNC3CC3)o2)cc1
InChIInChI=1S/C17H19NO3/c1-2-20-17(19)13-5-3-12(4-6-13)16-10-9-15(21-16)11-18-14-7-8-14/h3-6,9-10,14,18H,2,7-8,11H2,1H3
InChIKeyAVZPDGKSXQLVST-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.38
Rot. Bonds6

About ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate

ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate (PubChem CID 4722679) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate
PubChem CID4722679
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(CNC3CC3)o2)cc1
InChIInChI=1S/C17H19NO3/c1-2-20-17(19)13-5-3-12(4-6-13)16-10-9-15(21-16)11-18-14-7-8-14/h3-6,9-10,14,18H,2,7-8,11H2,1H3
InChIKeyAVZPDGKSXQLVST-UHFFFAOYSA-N
XLogP3.38
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate?
The IUPAC name of ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate (CID 4722679) is ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate.
What is the SMILES notation for ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate?
The canonical SMILES for ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate is CCOC(=O)c1ccc(-c2ccc(CNC3CC3)o2)cc1.
What is the InChIKey of ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate?
The InChIKey is AVZPDGKSXQLVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-20-17(19)13-5-3-12(4-6-13)16-10-9-15(21-16)11-18-14-7-8-14/h3-6,9-10,14,18H,2,7-8,11H2,1H3.
What are the key properties of ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate?
ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate has a molecular weight of 285.34 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate is sourced from PubChem (CID 4722679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).