N-[4-(dimethylcarbamoyl)phenyl]-N-(furan-2-ylmethyl)-2,4-dihydroxybenzamide

C21H20N2O5 — CID 151026196

IUPACN-[4-(dimethylcarbamoyl)phenyl]-N-(furan-2-ylmethyl)-2,4-dihydroxybenzamide
SMILESCN(C)C(=O)c1ccc(N(Cc2ccco2)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C21H20N2O5/c1-22(2)20(26)14-5-7-15(8-6-14)23(13-17-4-3-11-28-17)21(27)18-10-9-16(24)12-19(18)25/h3-12,24-25H,13H2,1-2H3
InChIKeyLZCHVMYGVHFFSN-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.24
Rot. Bonds5

About N-[4-(dimethylcarbamoyl)phenyl]-N-(furan-2-ylmethyl)-2,4-dihydroxybenzamide

N-[4-(dimethylcarbamoyl)phenyl]-N-(furan-2-ylmethyl)-2,4-dihydroxybenzamide (PubChem CID 151026196) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[4-(dimethylcarbamoyl)phenyl]-N-(furan-2-ylmethyl)-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[4-(dimethylcarbamoyl)phenyl]-N-(furan-2-ylmethyl)-2,4-dihydroxybenzamide
PubChem CID151026196
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC NameN-[4-(dimethylcarbamoyl)phenyl]-N-(furan-2-ylmethyl)-2,4-dihydroxybenzamide
SMILESCN(C)C(=O)c1ccc(N(Cc2ccco2)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C21H20N2O5/c1-22(2)20(26)14-5-7-15(8-6-14)23(13-17-4-3-11-28-17)21(27)18-10-9-16(24)12-19(18)25/h3-12,24-25H,13H2,1-2H3
InChIKeyLZCHVMYGVHFFSN-UHFFFAOYSA-N
XLogP3.24
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-N-(furan-2-ylmethyl)-2,4-dihydroxybenzamide?
The IUPAC name of N-[4-(dimethylcarbamoyl)phenyl]-N-(furan-2-ylmethyl)-2,4-dihydroxybenzamide (CID 151026196) is N-[4-(dimethylcarbamoyl)phenyl]-N-(furan-2-ylmethyl)-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[4-(dimethylcarbamoyl)phenyl]-N-(furan-2-ylmethyl)-2,4-dihydroxybenzamide?
The canonical SMILES for N-[4-(dimethylcarbamoyl)phenyl]-N-(furan-2-ylmethyl)-2,4-dihydroxybenzamide is CN(C)C(=O)c1ccc(N(Cc2ccco2)C(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of N-[4-(dimethylcarbamoyl)phenyl]-N-(furan-2-ylmethyl)-2,4-dihydroxybenzamide?
The InChIKey is LZCHVMYGVHFFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-22(2)20(26)14-5-7-15(8-6-14)23(13-17-4-3-11-28-17)21(27)18-10-9-16(24)12-19(18)25/h3-12,24-25H,13H2,1-2H3.
What are the key properties of N-[4-(dimethylcarbamoyl)phenyl]-N-(furan-2-ylmethyl)-2,4-dihydroxybenzamide?
N-[4-(dimethylcarbamoyl)phenyl]-N-(furan-2-ylmethyl)-2,4-dihydroxybenzamide has a molecular weight of 380.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylcarbamoyl)phenyl]-N-(furan-2-ylmethyl)-2,4-dihydroxybenzamide is sourced from PubChem (CID 151026196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).