N-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide

C22H24N2O4 — CID 178082978

IUPACN-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide
SMILESCNCc1c(OC)cc(NC(=O)c2ccc(-c3ccc(C)cc3)o2)cc1OC
InChIInChI=1S/C22H24N2O4/c1-14-5-7-15(8-6-14)18-9-10-19(28-18)22(25)24-16-11-20(26-3)17(13-23-2)21(12-16)27-4/h5-12,23H,13H2,1-4H3,(H,24,25)
InChIKeyRSJSGTAKLYGVJP-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.24
Rot. Bonds7

About N-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide

N-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide (PubChem CID 178082978) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide
PubChem CID178082978
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide
SMILESCNCc1c(OC)cc(NC(=O)c2ccc(-c3ccc(C)cc3)o2)cc1OC
InChIInChI=1S/C22H24N2O4/c1-14-5-7-15(8-6-14)18-9-10-19(28-18)22(25)24-16-11-20(26-3)17(13-23-2)21(12-16)27-4/h5-12,23H,13H2,1-4H3,(H,24,25)
InChIKeyRSJSGTAKLYGVJP-UHFFFAOYSA-N
XLogP4.24
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide (CID 178082978) is N-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide is CNCc1c(OC)cc(NC(=O)c2ccc(-c3ccc(C)cc3)o2)cc1OC.
What is the InChIKey of N-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide?
The InChIKey is RSJSGTAKLYGVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14-5-7-15(8-6-14)18-9-10-19(28-18)22(25)24-16-11-20(26-3)17(13-23-2)21(12-16)27-4/h5-12,23H,13H2,1-4H3,(H,24,25).
What are the key properties of N-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide?
N-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethoxy-4-(methylaminomethyl)phenyl]-5-(4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 178082978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).