N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide

C18H20N2O3 — CID 108740197

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCc1oc(NC(=O)COc2cccc(C(C)C)c2)c(C#N)c1C
InChIInChI=1S/C18H20N2O3/c1-11(2)14-6-5-7-15(8-14)22-10-17(21)20-18-16(9-19)12(3)13(4)23-18/h5-8,11H,10H2,1-4H3,(H,20,21)
InChIKeyCQUMGKOCIDZAEO-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.91
Rot. Bonds5

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 108740197) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID108740197
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCc1oc(NC(=O)COc2cccc(C(C)C)c2)c(C#N)c1C
InChIInChI=1S/C18H20N2O3/c1-11(2)14-6-5-7-15(8-14)22-10-17(21)20-18-16(9-19)12(3)13(4)23-18/h5-8,11H,10H2,1-4H3,(H,20,21)
InChIKeyCQUMGKOCIDZAEO-UHFFFAOYSA-N
XLogP3.91
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 108762849
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175939
N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176026
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide
CID 9458317
N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175983
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828
N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 16782919
2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid
CID 119231617
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 95168877
methyl 3-[(3-cyano-4,5-dimethylfuran-2-yl)carbamoyl]benzoate
CID 108740250
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 55638715
2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide (CID 108740197) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide is Cc1oc(NC(=O)COc2cccc(C(C)C)c2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is CQUMGKOCIDZAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11(2)14-6-5-7-15(8-14)22-10-17(21)20-18-16(9-19)12(3)13(4)23-18/h5-8,11H,10H2,1-4H3,(H,20,21).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 312.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 108740197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).