N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide

C23H24N2O4 — CID 37398643

IUPACN-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C23H24N2O4/c1-3-28-15-19-8-5-4-7-18(19)14-24-22(26)17-11-10-16(2)20(13-17)25-23(27)21-9-6-12-29-21/h4-13H,3,14-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyMJXCABIIQSGBLG-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.31
Rot. Bonds8

About N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 37398643) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID37398643
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C23H24N2O4/c1-3-28-15-19-8-5-4-7-18(19)14-24-22(26)17-11-10-16(2)20(13-17)25-23(27)21-9-6-12-29-21/h4-13H,3,14-15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyMJXCABIIQSGBLG-UHFFFAOYSA-N
XLogP4.31
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 37398643) is N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide is CCOCc1ccccc1CNC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is MJXCABIIQSGBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-28-15-19-8-5-4-7-18(19)14-24-22(26)17-11-10-16(2)20(13-17)25-23(27)21-9-6-12-29-21/h4-13H,3,14-15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 37398643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).