methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate

C15H24N2O4 — CID 43779505

IUPACmethyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(C)CN2CCOCC2)oc1C
InChIInChI=1S/C15H24N2O4/c1-11(10-17-4-6-20-7-5-17)16-9-13-8-14(12(2)21-13)15(18)19-3/h8,11,16H,4-7,9-10H2,1-3H3
InChIKeyVZRKMHRYJWGNDQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.18
Rot. Bonds6

About methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate

methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate (PubChem CID 43779505) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate
PubChem CID43779505
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Namemethyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(C)CN2CCOCC2)oc1C
InChIInChI=1S/C15H24N2O4/c1-11(10-17-4-6-20-7-5-17)16-9-13-8-14(12(2)21-13)15(18)19-3/h8,11,16H,4-7,9-10H2,1-3H3
InChIKeyVZRKMHRYJWGNDQ-UHFFFAOYSA-N
XLogP1.18
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-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-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-2-methylfuran-3-carboxylate
CID 114985528
methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 43231961
5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-2-carboxylic acid
CID 63317091
methyl 2-methyl-5-[[[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]methyl]furan-3-carboxylate
CID 111931036
N-[(5-ethylfuran-2-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 62345255
methyl 5-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81357144
methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81400076
methyl 5-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81347530
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[[2-(azepan-1-yl)ethylamino]methyl]-2-methylfuran-3-carboxylate
CID 60752171
methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate
CID 94661382
methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81375393

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate (CID 43779505) is methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate is COC(=O)c1cc(CNC(C)CN2CCOCC2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate?
The InChIKey is VZRKMHRYJWGNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11(10-17-4-6-20-7-5-17)16-9-13-8-14(12(2)21-13)15(18)19-3/h8,11,16H,4-7,9-10H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate?
methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate is sourced from PubChem (CID 43779505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).