N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(4-methylphenyl)furan-2-carboxamide

C20H19NO4 — CID 753712

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(4-methylphenyl)furan-2-carboxamide
SMILESCOc1cc(CN(C(=O)c2ccco2)c2ccc(C)cc2)ccc1O
InChIInChI=1S/C20H19NO4/c1-14-5-8-16(9-6-14)21(20(23)18-4-3-11-25-18)13-15-7-10-17(22)19(12-15)24-2/h3-12,22H,13H2,1-2H3
InChIKeyDMPBYYNOBGTZTB-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.15
Rot. Bonds5

About N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(4-methylphenyl)furan-2-carboxamide

N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(4-methylphenyl)furan-2-carboxamide (PubChem CID 753712) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(4-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(4-methylphenyl)furan-2-carboxamide
PubChem CID753712
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(4-methylphenyl)furan-2-carboxamide
SMILESCOc1cc(CN(C(=O)c2ccco2)c2ccc(C)cc2)ccc1O
InChIInChI=1S/C20H19NO4/c1-14-5-8-16(9-6-14)21(20(23)18-4-3-11-25-18)13-15-7-10-17(22)19(12-15)24-2/h3-12,22H,13H2,1-2H3
InChIKeyDMPBYYNOBGTZTB-UHFFFAOYSA-N
XLogP4.15
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(4-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(4-methylphenyl)furan-2-carboxamide (CID 753712) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(4-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(4-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(4-methylphenyl)furan-2-carboxamide is COc1cc(CN(C(=O)c2ccco2)c2ccc(C)cc2)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(4-methylphenyl)furan-2-carboxamide?
The InChIKey is DMPBYYNOBGTZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-14-5-8-16(9-6-14)21(20(23)18-4-3-11-25-18)13-15-7-10-17(22)19(12-15)24-2/h3-12,22H,13H2,1-2H3.
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(4-methylphenyl)furan-2-carboxamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(4-methylphenyl)furan-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(4-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 753712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).