2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide

C20H20N2O4 — CID 1292163

IUPAC2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCc1cccc(CNC(=O)c2ccoc2C)c1
InChIInChI=1S/C20H20N2O4/c1-13-17(6-8-25-13)19(23)21-11-15-4-3-5-16(10-15)12-22-20(24)18-7-9-26-14(18)2/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXUKJJHYJUQXCTJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.35
Rot. Bonds6

About 2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide

2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide (PubChem CID 1292163) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide
PubChem CID1292163
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCc1cccc(CNC(=O)c2ccoc2C)c1
InChIInChI=1S/C20H20N2O4/c1-13-17(6-8-25-13)19(23)21-11-15-4-3-5-16(10-15)12-22-20(24)18-7-9-26-14(18)2/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXUKJJHYJUQXCTJ-UHFFFAOYSA-N
XLogP3.35
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide (CID 1292163) is 2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide is Cc1occc1C(=O)NCc1cccc(CNC(=O)c2ccoc2C)c1.
What is the InChIKey of 2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide?
The InChIKey is XUKJJHYJUQXCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-17(6-8-25-13)19(23)21-11-15-4-3-5-16(10-15)12-22-20(24)18-7-9-26-14(18)2/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide?
2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[[(2-methylfuran-3-carbonyl)amino]methyl]phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 1292163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).