methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate

C13H20N2O4 — CID 103263193

IUPACmethyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
SMILESCCNC(=O)CCNC(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C13H20N2O4/c1-4-14-12(16)7-8-15-9(2)10-5-6-11(19-10)13(17)18-3/h5-6,9,15H,4,7-8H2,1-3H3,(H,14,16)
InChIKeyPCLFYSCNFSPUJK-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.24
Rot. Bonds7

About methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate

methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate (PubChem CID 103263193) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
PubChem CID103263193
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namemethyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
SMILESCCNC(=O)CCNC(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C13H20N2O4/c1-4-14-12(16)7-8-15-9(2)10-5-6-11(19-10)13(17)18-3/h5-6,9,15H,4,7-8H2,1-3H3,(H,14,16)
InChIKeyPCLFYSCNFSPUJK-UHFFFAOYSA-N
XLogP1.24
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate
CID 103246824
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-(4,4,4-trifluorobutylamino)ethyl]furan-2-carboxylate
CID 103261934
methyl 5-[1-[4-(dimethylamino)butylamino]ethyl]furan-2-carboxylate
CID 103244793
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
methyl 5-[1-[(3-hydroxy-2,2-dimethylpropyl)amino]ethyl]furan-2-carboxylate
CID 103260398

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate (CID 103263193) is methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate is CCNC(=O)CCNC(C)c1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate?
The InChIKey is PCLFYSCNFSPUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-14-12(16)7-8-15-9(2)10-5-6-11(19-10)13(17)18-3/h5-6,9,15H,4,7-8H2,1-3H3,(H,14,16).
What are the key properties of methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[[3-(ethylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 103263193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).