methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate

C18H20F2N2O5 — CID 55502317

IUPACmethyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)NCc2ccccc2OC(F)F)oc1C
InChIInChI=1S/C18H20F2N2O5/c1-11-14(16(23)25-3)8-13(26-11)10-22(2)18(24)21-9-12-6-4-5-7-15(12)27-17(19)20/h4-8,17H,9-10H2,1-3H3,(H,21,24)
InChIKeyMGOWUBSEABPIAP-UHFFFAOYSA-N
MW382.36 g/mol
LogP3.32
Rot. Bonds7

About methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 55502317) has the molecular formula C18H20F2N2O5 and a molecular weight of 382.36 g/mol. Its IUPAC name is methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID55502317
Molecular FormulaC18H20F2N2O5
Molecular Weight382.36 g/mol
Exact Mass382.13
IUPAC Namemethyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)NCc2ccccc2OC(F)F)oc1C
InChIInChI=1S/C18H20F2N2O5/c1-11-14(16(23)25-3)8-13(26-11)10-22(2)18(24)21-9-12-6-4-5-7-15(12)27-17(19)20/h4-8,17H,9-10H2,1-3H3,(H,21,24)
InChIKeyMGOWUBSEABPIAP-UHFFFAOYSA-N
XLogP3.32
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 87003197
methyl 5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 78789892
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
methyl 5-[[[N-[(2-methoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 111281759
methyl 5-[[[6-(dimethylamino)-3-pyridinyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 55629632
methyl 2-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-3-carboxylate
CID 78789914
methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
methyl 2-methyl-5-[[methyl-[2-[(2-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 55462508
methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 56545761
methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 78899184
methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 34484891
methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate
CID 134037285

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate (CID 55502317) is methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)NCc2ccccc2OC(F)F)oc1C.
What is the InChIKey of methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is MGOWUBSEABPIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O5/c1-11-14(16(23)25-3)8-13(26-11)10-22(2)18(24)21-9-12-6-4-5-7-15(12)27-17(19)20/h4-8,17H,9-10H2,1-3H3,(H,21,24).
What are the key properties of methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 382.36 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 55502317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).