methyl 4,5-dimethoxy-2-[(5-methylfuran-2-carbonyl)amino]benzoate

C16H17NO6 — CID 1247579

IUPACmethyl 4,5-dimethoxy-2-[(5-methylfuran-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)o1
InChIInChI=1S/C16H17NO6/c1-9-5-6-12(23-9)15(18)17-11-8-14(21-3)13(20-2)7-10(11)16(19)22-4/h5-8H,1-4H3,(H,17,18)
InChIKeyIAMHRPPKLKMNAE-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.64
Rot. Bonds5

About methyl 4,5-dimethoxy-2-[(5-methylfuran-2-carbonyl)amino]benzoate

methyl 4,5-dimethoxy-2-[(5-methylfuran-2-carbonyl)amino]benzoate (PubChem CID 1247579) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[(5-methylfuran-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[(5-methylfuran-2-carbonyl)amino]benzoate
PubChem CID1247579
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Namemethyl 4,5-dimethoxy-2-[(5-methylfuran-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)o1
InChIInChI=1S/C16H17NO6/c1-9-5-6-12(23-9)15(18)17-11-8-14(21-3)13(20-2)7-10(11)16(19)22-4/h5-8H,1-4H3,(H,17,18)
InChIKeyIAMHRPPKLKMNAE-UHFFFAOYSA-N
XLogP2.64
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[(5-methylfuran-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[(5-methylfuran-2-carbonyl)amino]benzoate (CID 1247579) is methyl 4,5-dimethoxy-2-[(5-methylfuran-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[(5-methylfuran-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[(5-methylfuran-2-carbonyl)amino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)o1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[(5-methylfuran-2-carbonyl)amino]benzoate?
The InChIKey is IAMHRPPKLKMNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6/c1-9-5-6-12(23-9)15(18)17-11-8-14(21-3)13(20-2)7-10(11)16(19)22-4/h5-8H,1-4H3,(H,17,18).
What are the key properties of methyl 4,5-dimethoxy-2-[(5-methylfuran-2-carbonyl)amino]benzoate?
methyl 4,5-dimethoxy-2-[(5-methylfuran-2-carbonyl)amino]benzoate has a molecular weight of 319.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[(5-methylfuran-2-carbonyl)amino]benzoate is sourced from PubChem (CID 1247579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).