methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate

C16H20N2O5 — CID 51081982

IUPACmethyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)NC(C)c2ccc(C)o2)oc1C
InChIInChI=1S/C16H20N2O5/c1-9-5-6-14(22-9)10(2)18-16(20)17-8-12-7-13(11(3)23-12)15(19)21-4/h5-7,10H,8H2,1-4H3,(H2,17,18,20)
InChIKeyBIUZTNGEYXEGTP-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.84
Rot. Bonds5

About methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate (PubChem CID 51081982) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate
PubChem CID51081982
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Namemethyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)NC(C)c2ccc(C)o2)oc1C
InChIInChI=1S/C16H20N2O5/c1-9-5-6-14(22-9)10(2)18-16(20)17-8-12-7-13(11(3)23-12)15(19)21-4/h5-7,10H,8H2,1-4H3,(H2,17,18,20)
InChIKeyBIUZTNGEYXEGTP-UHFFFAOYSA-N
XLogP2.84
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 51091264
methyl 2-methyl-5-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]furan-3-carboxylate;hydroiodide
CID 111124962
1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94028469
methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate
CID 94661382
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193
methyl 5-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81347530
methyl 5-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81400076
methyl 5-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 81357144
methyl 2-methyl-5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]furan-3-carboxylate
CID 81401586
methyl 5-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-2-methylfuran-3-carboxylate
CID 114985528
5-[[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 65048515

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate (CID 51081982) is methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNC(=O)NC(C)c2ccc(C)o2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate?
The InChIKey is BIUZTNGEYXEGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-9-5-6-14(22-9)10(2)18-16(20)17-8-12-7-13(11(3)23-12)15(19)21-4/h5-7,10H,8H2,1-4H3,(H2,17,18,20).
What are the key properties of methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate is sourced from PubChem (CID 51081982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).