N-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide

C21H18N2O3 — CID 23875629

IUPACN-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2oc(-c3ccccc3)cc2C#N)c1
InChIInChI=1S/C21H18N2O3/c1-14-8-15(2)10-18(9-14)25-13-20(24)23-21-17(12-22)11-19(26-21)16-6-4-3-5-7-16/h3-11H,13H2,1-2H3,(H,23,24)
InChIKeyTYSFUKFTYUWZTB-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.45
Rot. Bonds5

About N-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide

N-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 23875629) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide
PubChem CID23875629
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2oc(-c3ccccc3)cc2C#N)c1
InChIInChI=1S/C21H18N2O3/c1-14-8-15(2)10-18(9-14)25-13-20(24)23-21-17(12-22)11-19(26-21)16-6-4-3-5-7-16/h3-11H,13H2,1-2H3,(H,23,24)
InChIKeyTYSFUKFTYUWZTB-UHFFFAOYSA-N
XLogP4.45
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-cyano-5-(3-nitrophenyl)furan-2-yl]-2-(2,6-dimethylphenoxy)acetamide
CID 23732688
N-(3-cyano-5-phenylfuran-2-yl)benzamide
CID 730897
2-(4-bromo-2-tert-butylphenoxy)-N-[3-cyano-5-(4-methylphenyl)furan-2-yl]acetamide
CID 23820277
N-[3-cyano-5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 23880421
N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 926866
N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235341
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 108757727
N-[3-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1316241
2-(3,5-dimethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1335782
2-(3-hydroxy-5-methylphenoxy)-N-phenylacetamide
CID 107679862
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide (CID 23875629) is N-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)Nc2oc(-c3ccccc3)cc2C#N)c1.
What is the InChIKey of N-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is TYSFUKFTYUWZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-14-8-15(2)10-18(9-14)25-13-20(24)23-21-17(12-22)11-19(26-21)16-6-4-3-5-7-16/h3-11H,13H2,1-2H3,(H,23,24).
What are the key properties of N-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide?
N-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 346.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-phenylfuran-2-yl)-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 23875629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).