5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

C26H31NO4 — CID 21046228

IUPAC5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCCC(C)(C)c1ccc(OC)c(Cc2ccc(C(=O)NCc3ccc(OC)cc3)o2)c1
InChIInChI=1S/C26H31NO4/c1-6-26(2,3)20-9-13-23(30-5)19(15-20)16-22-12-14-24(31-22)25(28)27-17-18-7-10-21(29-4)11-8-18/h7-15H,6,16-17H2,1-5H3,(H,27,28)
InChIKeyMHYFTJTUCNKJJX-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.51
Rot. Bonds9

About 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 21046228) has the molecular formula C26H31NO4 and a molecular weight of 421.54 g/mol. Its IUPAC name is 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID21046228
Molecular FormulaC26H31NO4
Molecular Weight421.54 g/mol
Exact Mass421.23
IUPAC Name5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCCC(C)(C)c1ccc(OC)c(Cc2ccc(C(=O)NCc3ccc(OC)cc3)o2)c1
InChIInChI=1S/C26H31NO4/c1-6-26(2,3)20-9-13-23(30-5)19(15-20)16-22-12-14-24(31-22)25(28)27-17-18-7-10-21(29-4)11-8-18/h7-15H,6,16-17H2,1-5H3,(H,27,28)
InChIKeyMHYFTJTUCNKJJX-UHFFFAOYSA-N
XLogP5.51
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide
CID 21046909
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025
5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 21046209
ethyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]propanoate
CID 21046381
ethyl 3-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]butanoate
CID 21046378
methyl 2-[[5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carbonyl]amino]-2-phenylacetate
CID 21046653
N-[(2,5-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047187
5-[(2,5-dimethoxyphenyl)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 21045960
N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5068893
N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047625
5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4661810
N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047655

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (CID 21046228) is 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is CCC(C)(C)c1ccc(OC)c(Cc2ccc(C(=O)NCc3ccc(OC)cc3)o2)c1.
What is the InChIKey of 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is MHYFTJTUCNKJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO4/c1-6-26(2,3)20-9-13-23(30-5)19(15-20)16-22-12-14-24(31-22)25(28)27-17-18-7-10-21(29-4)11-8-18/h7-15H,6,16-17H2,1-5H3,(H,27,28).
What are the key properties of 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 5.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21046228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).