methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate

C15H24N2O4 — CID 79084995

IUPACmethyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
SMILESCCCN(CC(=O)N(C)C)C(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C15H24N2O4/c1-6-9-17(10-14(18)16(3)4)11(2)12-7-8-13(21-12)15(19)20-5/h7-8,11H,6,9-10H2,1-5H3
InChIKeyRPPBFIGODNIRDF-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.93
Rot. Bonds7

About methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate

methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate (PubChem CID 79084995) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
PubChem CID79084995
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Namemethyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
SMILESCCCN(CC(=O)N(C)C)C(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C15H24N2O4/c1-6-9-17(10-14(18)16(3)4)11(2)12-7-8-13(21-12)15(19)20-5/h7-8,11H,6,9-10H2,1-5H3
InChIKeyRPPBFIGODNIRDF-UHFFFAOYSA-N
XLogP1.93
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
CID 79090923
methyl 5-[1-[(2-amino-2-oxoethyl)-ethylamino]ethyl]furan-2-carboxylate
CID 103102938
methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate
CID 112726846
methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate
CID 79084264
methyl 5-(1-propylsulfanylethyl)furan-2-carboxylate
CID 79083901
5-[1-(dipropylamino)ethyl]furan-2-carboxylic acid
CID 20986641
methyl 5-(1-butylsulfanylethyl)furan-2-carboxylate
CID 112726651
methyl 5-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]furan-2-carboxylate
CID 79084990
methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate
CID 107399553
methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate
CID 79086387
methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 103722513
ethyl 5-[1-(diethylamino)ethyl]furan-2-carboxylate;iodomethane
CID 126477205

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate (CID 79084995) is methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate is CCCN(CC(=O)N(C)C)C(C)c1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate?
The InChIKey is RPPBFIGODNIRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-6-9-17(10-14(18)16(3)4)11(2)12-7-8-13(21-12)15(19)20-5/h7-8,11H,6,9-10H2,1-5H3.
What are the key properties of methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate?
methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 79084995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).