N-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide

C21H20N2O4 — CID 1141329

IUPACN-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESCc1cccc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1
InChIInChI=1S/C21H20N2O4/c1-14-5-3-6-17(11-14)27-13-20(24)22-16-8-9-18(15(2)12-16)23-21(25)19-7-4-10-26-19/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyALVKECPKVVWCKB-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.17
Rot. Bonds6

About N-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide

N-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 1141329) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID1141329
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESCc1cccc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1
InChIInChI=1S/C21H20N2O4/c1-14-5-3-6-17(11-14)27-13-20(24)22-16-8-9-18(15(2)12-16)23-21(25)19-7-4-10-26-19/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyALVKECPKVVWCKB-UHFFFAOYSA-N
XLogP4.17
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide (CID 1141329) is N-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide is Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1.
What is the InChIKey of N-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is ALVKECPKVVWCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14-5-3-6-17(11-14)27-13-20(24)22-16-8-9-18(15(2)12-16)23-21(25)19-7-4-10-26-19/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
N-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1141329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).