4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide

C20H19NO3 — CID 121269426

IUPAC4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide
SMILESCc1ccc(O)c(CN(C)C(=O)c2ccc(-c3ccco3)cc2)c1
InChIInChI=1S/C20H19NO3/c1-14-5-10-18(22)17(12-14)13-21(2)20(23)16-8-6-15(7-9-16)19-4-3-11-24-19/h3-12,22H,13H2,1-2H3
InChIKeyZUZOGBXIANGRPP-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.23
Rot. Bonds4

About 4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide

4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide (PubChem CID 121269426) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide
PubChem CID121269426
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide
SMILESCc1ccc(O)c(CN(C)C(=O)c2ccc(-c3ccco3)cc2)c1
InChIInChI=1S/C20H19NO3/c1-14-5-10-18(22)17(12-14)13-21(2)20(23)16-8-6-15(7-9-16)19-4-3-11-24-19/h3-12,22H,13H2,1-2H3
InChIKeyZUZOGBXIANGRPP-UHFFFAOYSA-N
XLogP4.23
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-hydroxyphenyl)methyl]-4-(furan-2-yl)-N-methylbenzamide
CID 121269393
4-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-N-methylbenzamide
CID 121269395
4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide
CID 168525452
N-(2,4-dimethylhexa-2,4-dienyl)-4-(furan-2-yl)-N-methylbenzamide
CID 123540454
N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide
CID 130034284
(E)-6-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]-2-methylhex-2-enoic acid
CID 121269406
ethane;ethyl 2-[3-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]propylsulfanyl]acetate
CID 145061898
2-[3-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]propyl]cyclopropane-1-carboxylic acid
CID 121269401
N-[[2-(3-bromopropoxy)phenyl]methyl]-4-(furan-2-yl)-N-methylbenzamide;ethyl 2-[3-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]propylsulfanyl]acetate;2-[3-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]propylsulfanyl]acetic acid;4-(furan-2-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 159916831
4-(furan-2-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylbenzamide
CID 131904939
4-(furan-2-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 77086645
6-[2-[dideuterio-[[4-(furan-2-yl)benzoyl]-propan-2-ylamino]methyl]-4-methylphenoxy]hexanoic acid
CID 121270723

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide (CID 121269426) is 4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide is Cc1ccc(O)c(CN(C)C(=O)c2ccc(-c3ccco3)cc2)c1.
What is the InChIKey of 4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide?
The InChIKey is ZUZOGBXIANGRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-5-10-18(22)17(12-14)13-21(2)20(23)16-8-6-15(7-9-16)19-4-3-11-24-19/h3-12,22H,13H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide?
4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 121269426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).