5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide

C23H25NO4 — CID 55996476

IUPAC5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide
SMILESCOCc1ccc(CNC(=O)c2ccc(COc3ccc(C)cc3C)o2)cc1
InChIInChI=1S/C23H25NO4/c1-16-4-10-21(17(2)12-16)27-15-20-9-11-22(28-20)23(25)24-13-18-5-7-19(8-6-18)14-26-3/h4-12H,13-15H2,1-3H3,(H,24,25)
InChIKeyRTTCXEHSWRNJDE-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.55
Rot. Bonds8

About 5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide

5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 55996476) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID55996476
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide
SMILESCOCc1ccc(CNC(=O)c2ccc(COc3ccc(C)cc3C)o2)cc1
InChIInChI=1S/C23H25NO4/c1-16-4-10-21(17(2)12-16)27-15-20-9-11-22(28-20)23(25)24-13-18-5-7-19(8-6-18)14-26-3/h4-12H,13-15H2,1-3H3,(H,24,25)
InChIKeyRTTCXEHSWRNJDE-UHFFFAOYSA-N
XLogP4.55
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide
CID 110902991
5-(methoxymethyl)-N-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 78851950
2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanediamide
CID 56798552
N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 47069838
(2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
CID 119244528
N-[(4-fluorophenyl)methyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461206
5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 56585968
5-[(2,4-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)furan-2-carboxamide
CID 47070392
4-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230206
N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452808
5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide
CID 78872860
5-[(2,5-dimethylphenoxy)methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 35337267

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide (CID 55996476) is 5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide is COCc1ccc(CNC(=O)c2ccc(COc3ccc(C)cc3C)o2)cc1.
What is the InChIKey of 5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is RTTCXEHSWRNJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-16-4-10-21(17(2)12-16)27-15-20-9-11-22(28-20)23(25)24-13-18-5-7-19(8-6-18)14-26-3/h4-12H,13-15H2,1-3H3,(H,24,25).
What are the key properties of 5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide?
5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 55996476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).