N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide

C21H18N2O4 — CID 2305048

IUPACN-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide
SMILESCOc1ccc(-c2oc(NC(C)=O)c(C#N)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H18N2O4/c1-13(24)23-21-18(12-22)19(14-4-8-16(25-2)9-5-14)20(27-21)15-6-10-17(26-3)11-7-15/h4-11H,1-3H3,(H,23,24)
InChIKeyHEYMAWOJWMPZLF-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.46
Rot. Bonds5

About N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide

N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide (PubChem CID 2305048) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide
PubChem CID2305048
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide
SMILESCOc1ccc(-c2oc(NC(C)=O)c(C#N)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H18N2O4/c1-13(24)23-21-18(12-22)19(14-4-8-16(25-2)9-5-14)20(27-21)15-6-10-17(26-3)11-7-15/h4-11H,1-3H3,(H,23,24)
InChIKeyHEYMAWOJWMPZLF-UHFFFAOYSA-N
XLogP4.46
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide?
The IUPAC name of N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide (CID 2305048) is N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide.
What is the SMILES notation for N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide?
The canonical SMILES for N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide is COc1ccc(-c2oc(NC(C)=O)c(C#N)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide?
The InChIKey is HEYMAWOJWMPZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-13(24)23-21-18(12-22)19(14-4-8-16(25-2)9-5-14)20(27-21)15-6-10-17(26-3)11-7-15/h4-11H,1-3H3,(H,23,24).
What are the key properties of N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide?
N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide has a molecular weight of 362.39 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide is sourced from PubChem (CID 2305048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).