methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate

C14H22N2O4 — CID 103246824

IUPACmethyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate
SMILESCCCNC(=O)CCNC(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C14H22N2O4/c1-4-8-16-13(17)7-9-15-10(2)11-5-6-12(20-11)14(18)19-3/h5-6,10,15H,4,7-9H2,1-3H3,(H,16,17)
InChIKeyUBMOBVUUSCEHEF-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.63
Rot. Bonds8

About methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate

methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate (PubChem CID 103246824) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate
PubChem CID103246824
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate
SMILESCCCNC(=O)CCNC(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C14H22N2O4/c1-4-8-16-13(17)7-9-15-10(2)11-5-6-12(20-11)14(18)19-3/h5-6,10,15H,4,7-9H2,1-3H3,(H,16,17)
InChIKeyUBMOBVUUSCEHEF-UHFFFAOYSA-N
XLogP1.63
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 103263193
methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate
CID 103230134
methyl 5-[1-(but-3-ynylamino)ethyl]furan-2-carboxylate
CID 103251131
methyl 5-[1-(3-methylsulfanylbutylamino)ethyl]furan-2-carboxylate
CID 103266742
methyl 5-[1-[3-(dimethylamino)propylamino]ethyl]furan-2-carboxylate
CID 103235987
methyl 5-[1-[4-(dimethylamino)butylamino]ethyl]furan-2-carboxylate
CID 103244793
methyl 5-[1-(4,4,4-trifluorobutylamino)ethyl]furan-2-carboxylate
CID 103261934
methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate
CID 106294446
methyl 5-[1-(hex-5-ynylamino)ethyl]furan-2-carboxylate
CID 114159289
5-[1-[[3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylic acid
CID 103245946
methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate
CID 103250815
methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate
CID 103253848

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate (CID 103246824) is methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate is CCCNC(=O)CCNC(C)c1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate?
The InChIKey is UBMOBVUUSCEHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-8-16-13(17)7-9-15-10(2)11-5-6-12(20-11)14(18)19-3/h5-6,10,15H,4,7-9H2,1-3H3,(H,16,17).
What are the key properties of methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 103246824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).