N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide

C24H25NO6 — CID 19580036

IUPACN-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(COc3cc(C)ccc3C)o2)c(C(C)=O)cc1OC
InChIInChI=1S/C24H25NO6/c1-14-6-7-15(2)21(10-14)30-13-17-8-9-20(31-17)24(27)25-19-12-23(29-5)22(28-4)11-18(19)16(3)26/h6-12H,13H2,1-5H3,(H,25,27)
InChIKeyZOVCHFBDSGOLJD-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.95
Rot. Bonds8

About N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide

N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19580036) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
PubChem CID19580036
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC NameN-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(COc3cc(C)ccc3C)o2)c(C(C)=O)cc1OC
InChIInChI=1S/C24H25NO6/c1-14-6-7-15(2)21(10-14)30-13-17-8-9-20(31-17)24(27)25-19-12-23(29-5)22(28-4)11-18(19)16(3)26/h6-12H,13H2,1-5H3,(H,25,27)
InChIKeyZOVCHFBDSGOLJD-UHFFFAOYSA-N
XLogP4.95
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19452686
N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047245
N-(2,6-dichlorophenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452643
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 19457438
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393388
methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 4193916
N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452808
5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 19452910
5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 1235920
N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452717
N-(2-fluoro-5-methylphenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455034

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide (CID 19580036) is N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccc(COc3cc(C)ccc3C)o2)c(C(C)=O)cc1OC.
What is the InChIKey of N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is ZOVCHFBDSGOLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-14-6-7-15(2)21(10-14)30-13-17-8-9-20(31-17)24(27)25-19-12-23(29-5)22(28-4)11-18(19)16(3)26/h6-12H,13H2,1-5H3,(H,25,27).
What are the key properties of N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide?
N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19580036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).