methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate

C15H15NO4 — CID 114822092

IUPACmethyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)c1coc(C)c1
InChIInChI=1S/C15H15NO4/c1-9-4-5-13(12(6-9)15(18)19-3)16-14(17)11-7-10(2)20-8-11/h4-8H,1-3H3,(H,16,17)
InChIKeyKNRUTTOMOFWGRJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.94
Rot. Bonds3

About methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate

methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate (PubChem CID 114822092) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate
PubChem CID114822092
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)c1coc(C)c1
InChIInChI=1S/C15H15NO4/c1-9-4-5-13(12(6-9)15(18)19-3)16-14(17)11-7-10(2)20-8-11/h4-8H,1-3H3,(H,16,17)
InChIKeyKNRUTTOMOFWGRJ-UHFFFAOYSA-N
XLogP2.94
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate
CID 106685894
methyl 2-[(5-hydroxypyridine-3-carbonyl)amino]-5-methylbenzoate
CID 63849862
methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate
CID 79479514
methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-methylbenzoate
CID 43623715
5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818932
methyl 4-[(5-methylfuran-3-carbonyl)amino]benzoate
CID 114822079
5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818783
methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate
CID 103859709
methyl 5-methyl-2-(prop-2-enoylamino)benzoate
CID 43623759
4-(2-methoxycarbonyl-4-methylanilino)-4-oxobutanoic acid
CID 54867962
methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
CID 26522804
methyl 2-(2-fluoroprop-2-enoylamino)-5-methylbenzoate
CID 167908353

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate (CID 114822092) is methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate is COC(=O)c1cc(C)ccc1NC(=O)c1coc(C)c1.
What is the InChIKey of methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate?
The InChIKey is KNRUTTOMOFWGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-4-5-13(12(6-9)15(18)19-3)16-14(17)11-7-10(2)20-8-11/h4-8H,1-3H3,(H,16,17).
What are the key properties of methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate?
methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate has a molecular weight of 273.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate is sourced from PubChem (CID 114822092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).