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

C13H21NO3 — CID 112726846

IUPACmethyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate
SMILESCCCCN(C)C(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C13H21NO3/c1-5-6-9-14(3)10(2)11-7-8-12(17-11)13(15)16-4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyDOIFSERUWXSXPA-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.86
Rot. Bonds6

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

methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate (PubChem CID 112726846) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate
PubChem CID112726846
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate
SMILESCCCCN(C)C(C)c1ccc(C(=O)OC)o1
InChIInChI=1S/C13H21NO3/c1-5-6-9-14(3)10(2)11-7-8-12(17-11)13(15)16-4/h7-8,10H,5-6,9H2,1-4H3
InChIKeyDOIFSERUWXSXPA-UHFFFAOYSA-N
XLogP2.86
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-[1-[butyl(methyl)amino]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-(1-butylsulfanylethyl)furan-2-carboxylate
CID 112726651
methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate
CID 79086387
methyl 5-(1-propylsulfanylethyl)furan-2-carboxylate
CID 79083901
methyl 5-[1-[methyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]furan-2-carboxylate
CID 79084264
methyl 5-[1-[[2-(dimethylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
CID 79084995
methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 103722513
methyl 5-[1-[(2-amino-2-oxoethyl)-ethylamino]ethyl]furan-2-carboxylate
CID 103102938
methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
CID 79090923
methyl 5-[1-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]furan-2-carboxylate
CID 79090070
methyl 5-[1-[(2-bromophenyl)methyl-methylamino]ethyl]furan-2-carboxylate
CID 78974983
methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate
CID 71897211
5-[1-(dibutylamino)ethyl]furan-2-carboxylic acid
CID 22686704

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate (CID 112726846) is methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate is CCCCN(C)C(C)c1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate?
The InChIKey is DOIFSERUWXSXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-6-9-14(3)10(2)11-7-8-12(17-11)13(15)16-4/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 112726846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).