propyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate

C16H17NO4 — CID 2165163

IUPACpropyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccoc2C)cc1
InChIInChI=1S/C16H17NO4/c1-3-9-21-16(19)12-4-6-13(7-5-12)17-15(18)14-8-10-20-11(14)2/h4-8,10H,3,9H2,1-2H3,(H,17,18)
InChIKeyKXUCLYHTALQXGI-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.41
Rot. Bonds5

About propyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate

propyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate (PubChem CID 2165163) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is propyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
PubChem CID2165163
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Namepropyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccoc2C)cc1
InChIInChI=1S/C16H17NO4/c1-3-9-21-16(19)12-4-6-13(7-5-12)17-15(18)14-8-10-20-11(14)2/h4-8,10H,3,9H2,1-2H3,(H,17,18)
InChIKeyKXUCLYHTALQXGI-UHFFFAOYSA-N
XLogP3.41
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate?
The IUPAC name of propyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate (CID 2165163) is propyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate?
The canonical SMILES for propyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2ccoc2C)cc1.
What is the InChIKey of propyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate?
The InChIKey is KXUCLYHTALQXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-9-21-16(19)12-4-6-13(7-5-12)17-15(18)14-8-10-20-11(14)2/h4-8,10H,3,9H2,1-2H3,(H,17,18).
What are the key properties of propyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate?
propyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate has a molecular weight of 287.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate is sourced from PubChem (CID 2165163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).