methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate

C17H21NO5 — CID 34484891

IUPACmethyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2c(C)oc(C)c2C)oc1C
InChIInChI=1S/C17H21NO5/c1-9-10(2)22-12(4)15(9)16(19)18(5)8-13-7-14(11(3)23-13)17(20)21-6/h7H,8H2,1-6H3
InChIKeyIEVBOXXBQWJIFU-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.17
Rot. Bonds4

About methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate (PubChem CID 34484891) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
PubChem CID34484891
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Namemethyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2c(C)oc(C)c2C)oc1C
InChIInChI=1S/C17H21NO5/c1-9-10(2)22-12(4)15(9)16(19)18(5)8-13-7-14(11(3)23-13)17(20)21-6/h7H,8H2,1-6H3
InChIKeyIEVBOXXBQWJIFU-UHFFFAOYSA-N
XLogP3.17
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]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-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate
CID 134037285
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31710740
methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate
CID 34481720
methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 56545761
methyl 5-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-2-methylfuran-3-carboxylate
CID 111107898
methyl 5-[[(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484085
methyl 5-[[[2-(methoxycarbonylamino)-4-methylpentanoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 47990211
methyl 2-methyl-5-[[methyl(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]methyl]furan-3-carboxylate
CID 34484232
methyl 2-methyl-5-[[methyl-[2-[(2-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 55462508
5-[[(2,6-dimethoxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119942685

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate (CID 34484891) is methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)c2c(C)oc(C)c2C)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate?
The InChIKey is IEVBOXXBQWJIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-9-10(2)22-12(4)15(9)16(19)18(5)8-13-7-14(11(3)23-13)17(20)21-6/h7H,8H2,1-6H3.
What are the key properties of methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate has a molecular weight of 319.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 34484891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).