N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide

C13H14N2O3 — CID 43548614

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cc(N)ccc2O)o1
InChIInChI=1S/C13H14N2O3/c1-8-2-5-12(18-8)13(17)15-7-9-6-10(14)3-4-11(9)16/h2-6,16H,7,14H2,1H3,(H,15,17)
InChIKeyUBMUJTDNBQGWCL-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.81
Rot. Bonds3

About N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide

N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide (PubChem CID 43548614) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide
PubChem CID43548614
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cc(N)ccc2O)o1
InChIInChI=1S/C13H14N2O3/c1-8-2-5-12(18-8)13(17)15-7-9-6-10(14)3-4-11(9)16/h2-6,16H,7,14H2,1H3,(H,15,17)
InChIKeyUBMUJTDNBQGWCL-UHFFFAOYSA-N
XLogP1.81
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 65151478
N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82827346
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 43548627
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729
N-[(5-amino-2-hydroxyphenyl)methyl]propanamide
CID 43548596
N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide
CID 62514243
N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide
CID 43548733
N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 43548732
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 107731132
N-[(5-amino-2-hydroxyphenyl)methyl]-2-propylpentanamide
CID 82985461
N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide
CID 106850782
N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 43548608

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide (CID 43548614) is N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NCc2cc(N)ccc2O)o1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide?
The InChIKey is UBMUJTDNBQGWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-2-5-12(18-8)13(17)15-7-9-6-10(14)3-4-11(9)16/h2-6,16H,7,14H2,1H3,(H,15,17).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 43548614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).