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

C14H22N2O4 — CID 79090923

IUPACmethyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
SMILESCCCN(CC(=O)NC)C(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C14H22N2O4/c1-5-8-16(9-13(17)15-3)10(2)11-6-7-12(20-11)14(18)19-4/h6-7,10H,5,8-9H2,1-4H3,(H,15,17)
InChIKeyFDZSEMCBRKFENS-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.59
Rot. Bonds7

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

methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate (PubChem CID 79090923) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
PubChem CID79090923
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
SMILESCCCN(CC(=O)NC)C(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C14H22N2O4/c1-5-8-16(9-13(17)15-3)10(2)11-6-7-12(20-11)14(18)19-4/h6-7,10H,5,8-9H2,1-4H3,(H,15,17)
InChIKeyFDZSEMCBRKFENS-UHFFFAOYSA-N
XLogP1.59
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
CID 79084995
methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate
CID 79084264
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-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
2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide
CID 54984241
methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 103722513
methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate
CID 107399553
2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide
CID 82985774
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate (CID 79090923) is methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate is CCCN(CC(=O)NC)C(C)c1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate?
The InChIKey is FDZSEMCBRKFENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-8-16(9-13(17)15-3)10(2)11-6-7-12(20-11)14(18)19-4/h6-7,10H,5,8-9H2,1-4H3,(H,15,17).
What are the key properties of methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate?
methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 79090923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).