N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide

C16H16N2O3 — CID 104848980

IUPACN-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C16H16N2O3/c1-9-10(2)21-11(3)15(9)16(19)18-13-6-5-12(8-17)7-14(13)20-4/h5-7H,1-4H3,(H,18,19)
InChIKeyJLWYOKGQZMIVDM-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.34
Rot. Bonds3

About N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide

N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 104848980) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID104848980
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C16H16N2O3/c1-9-10(2)21-11(3)15(9)16(19)18-13-6-5-12(8-17)7-14(13)20-4/h5-7H,1-4H3,(H,18,19)
InChIKeyJLWYOKGQZMIVDM-UHFFFAOYSA-N
XLogP3.34
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104849120
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide
CID 104848978
N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
CID 104850045
N-(4-cyano-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114343595
N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide
CID 113460384
N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
CID 104848992
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
CID 113460379
N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
CID 104848948
2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide
CID 104848528

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide (CID 104848980) is N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide is COc1cc(C#N)ccc1NC(=O)c1c(C)oc(C)c1C.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is JLWYOKGQZMIVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-10(2)21-11(3)15(9)16(19)18-13-6-5-12(8-17)7-14(13)20-4/h5-7H,1-4H3,(H,18,19).
What are the key properties of N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide?
N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 104848980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).