methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate

C17H21NO3 — CID 103265575

IUPACmethyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NCC(C)c2ccccc2)o1
InChIInChI=1S/C17H21NO3/c1-12(14-7-5-4-6-8-14)11-18-13(2)15-9-10-16(21-15)17(19)20-3/h4-10,12-13,18H,11H2,1-3H3
InChIKeyFGTGCCJNUCQKLB-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.52
Rot. Bonds6

About methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate

methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate (PubChem CID 103265575) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate
PubChem CID103265575
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namemethyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NCC(C)c2ccccc2)o1
InChIInChI=1S/C17H21NO3/c1-12(14-7-5-4-6-8-14)11-18-13(2)15-9-10-16(21-15)17(19)20-3/h4-10,12-13,18H,11H2,1-3H3
InChIKeyFGTGCCJNUCQKLB-UHFFFAOYSA-N
XLogP3.52
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[1-(2-phenylpropylamino)ethyl]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 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 86175043
methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate
CID 103230134
methyl 5-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]ethyl]furan-2-carboxylate
CID 103260398
methyl 5-[1-(but-3-ynylamino)ethyl]furan-2-carboxylate
CID 103251131
methyl 5-[1-[(3-cyanophenyl)methylamino]ethyl]furan-2-carboxylate
CID 103240174
methyl 5-[1-[3-(dimethylamino)propylamino]ethyl]furan-2-carboxylate
CID 103235987
methyl 5-[1-(3-methylsulfanylbutylamino)ethyl]furan-2-carboxylate
CID 103266742
methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate
CID 114169679
methyl 5-[1-[4-(dimethylamino)butylamino]ethyl]furan-2-carboxylate
CID 103244793
methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 106278498
methyl 5-[1-(4,4,4-trifluorobutylamino)ethyl]furan-2-carboxylate
CID 103261934
methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 103263193

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate (CID 103265575) is methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)NCC(C)c2ccccc2)o1.
What is the InChIKey of methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate?
The InChIKey is FGTGCCJNUCQKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(14-7-5-4-6-8-14)11-18-13(2)15-9-10-16(21-15)17(19)20-3/h4-10,12-13,18H,11H2,1-3H3.
What are the key properties of methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate?
methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(2-phenylpropylamino)ethyl]furan-2-carboxylate is sourced from PubChem (CID 103265575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).