2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide

C14H14N2O3 — CID 148883740

IUPAC2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide
SMILESCOc1ccccc1-c1ccc(/C=N/CC(N)=O)o1
InChIInChI=1S/C14H14N2O3/c1-18-12-5-3-2-4-11(12)13-7-6-10(19-13)8-16-9-14(15)17/h2-8H,9H2,1H3,(H2,15,17)/b16-8+
InChIKeyPDOQQCFEYOYXGE-LZYBPNLTSA-N
MW258.28 g/mol
LogP1.86
Rot. Bonds5

About 2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide

2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 148883740) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID148883740
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide
SMILESCOc1ccccc1-c1ccc(/C=N/CC(N)=O)o1
InChIInChI=1S/C14H14N2O3/c1-18-12-5-3-2-4-11(12)13-7-6-10(19-13)8-16-9-14(15)17/h2-8H,9H2,1H3,(H2,15,17)/b16-8+
InChIKeyPDOQQCFEYOYXGE-LZYBPNLTSA-N
XLogP1.86
TPSA77.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide (CID 148883740) is 2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide is COc1ccccc1-c1ccc(/C=N/CC(N)=O)o1.
What is the InChIKey of 2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is PDOQQCFEYOYXGE-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-12-5-3-2-4-11(12)13-7-6-10(19-13)8-16-9-14(15)17/h2-8H,9H2,1H3,(H2,15,17)/b16-8+.
What are the key properties of 2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide?
2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 258.28 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 148883740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).