5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide

C15H18N2O3 — CID 91687732

IUPAC5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(-c2ccc(N)cc2C)o1
InChIInChI=1S/C15H18N2O3/c1-10-9-11(16)3-4-12(10)13-5-6-14(20-13)15(18)17-7-8-19-2/h3-6,9H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyBBSHMLIBGGFCOD-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.21
Rot. Bonds5

About 5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide

5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 91687732) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID91687732
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCNC(=O)c1ccc(-c2ccc(N)cc2C)o1
InChIInChI=1S/C15H18N2O3/c1-10-9-11(16)3-4-12(10)13-5-6-14(20-13)15(18)17-7-8-19-2/h3-6,9H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyBBSHMLIBGGFCOD-UHFFFAOYSA-N
XLogP2.21
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of 5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide (CID 91687732) is 5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide is COCCNC(=O)c1ccc(-c2ccc(N)cc2C)o1.
What is the InChIKey of 5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is BBSHMLIBGGFCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-9-11(16)3-4-12(10)13-5-6-14(20-13)15(18)17-7-8-19-2/h3-6,9H,7-8,16H2,1-2H3,(H,17,18).
What are the key properties of 5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide?
5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 91687732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).