2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide

C19H24N2O3 — CID 25163737

IUPAC2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(C)oc1C
InChIInChI=1S/C19H24N2O3/c1-5-10-21(19(23)16-11-14(3)24-15(16)4)12-18(22)20-17-9-7-6-8-13(17)2/h6-9,11H,5,10,12H2,1-4H3,(H,20,22)
InChIKeyFDGLBKBFUNRQMS-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.70
Rot. Bonds6

About 2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide

2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide (PubChem CID 25163737) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide
PubChem CID25163737
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(C)oc1C
InChIInChI=1S/C19H24N2O3/c1-5-10-21(19(23)16-11-14(3)24-15(16)4)12-18(22)20-17-9-7-6-8-13(17)2/h6-9,11H,5,10,12H2,1-4H3,(H,20,22)
InChIKeyFDGLBKBFUNRQMS-UHFFFAOYSA-N
XLogP3.70
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide (CID 25163737) is 2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(C)oc1C.
What is the InChIKey of 2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide?
The InChIKey is FDGLBKBFUNRQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-5-10-21(19(23)16-11-14(3)24-15(16)4)12-18(22)20-17-9-7-6-8-13(17)2/h6-9,11H,5,10,12H2,1-4H3,(H,20,22).
What are the key properties of 2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide?
2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide is sourced from PubChem (CID 25163737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).