N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide

C21H24N2O4 — CID 108763001

IUPACN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide
SMILESCC(=O)c1c(C)oc(NC(=O)COc2ccc(C)cc2C(C)(C)C)c1C#N
InChIInChI=1S/C21H24N2O4/c1-12-7-8-17(16(9-12)21(4,5)6)26-11-18(25)23-20-15(10-22)19(13(2)24)14(3)27-20/h7-9H,11H2,1-6H3,(H,23,25)
InChIKeyAYCFCIFUUMUZLK-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.29
Rot. Bonds5

About N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide

N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide (PubChem CID 108763001) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide
PubChem CID108763001
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide
SMILESCC(=O)c1c(C)oc(NC(=O)COc2ccc(C)cc2C(C)(C)C)c1C#N
InChIInChI=1S/C21H24N2O4/c1-12-7-8-17(16(9-12)21(4,5)6)26-11-18(25)23-20-15(10-22)19(13(2)24)14(3)27-20/h7-9H,11H2,1-6H3,(H,23,25)
InChIKeyAYCFCIFUUMUZLK-UHFFFAOYSA-N
XLogP4.29
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-methylfuran-3,4-dicarboxylate
CID 108762186
2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide
CID 23820277
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide
CID 108740341
N-[[4-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
CID 108923158
methyl 5-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757356
2-(2,4-ditert-butylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 17356490
4-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-3-hydroxybenzoic acid
CID 108766535
methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
CID 19169245
3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]propanoic acid
CID 9157836
ethyl 4-acetyl-5-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]furan-3-carboxylate
CID 108741027
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 108762849
N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide
CID 108541189

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide?
The IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide (CID 108763001) is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide?
The canonical SMILES for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide is CC(=O)c1c(C)oc(NC(=O)COc2ccc(C)cc2C(C)(C)C)c1C#N.
What is the InChIKey of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide?
The InChIKey is AYCFCIFUUMUZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-12-7-8-17(16(9-12)21(4,5)6)26-11-18(25)23-20-15(10-22)19(13(2)24)14(3)27-20/h7-9H,11H2,1-6H3,(H,23,25).
What are the key properties of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide?
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide has a molecular weight of 368.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-(2-tert-butyl-4-methylphenoxy)acetamide is sourced from PubChem (CID 108763001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).