N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide

C15H18N2O3 — CID 65151478

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NCc2cc(N)ccc2O)c1C
InChIInChI=1S/C15H18N2O3/c1-8-9(2)20-10(3)14(8)15(19)17-7-11-6-12(16)4-5-13(11)18/h4-6,18H,7,16H2,1-3H3,(H,17,19)
InChIKeyYIROZUDSZONPOV-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.42
Rot. Bonds3

About N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide

N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 65151478) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
PubChem CID65151478
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NCc2cc(N)ccc2O)c1C
InChIInChI=1S/C15H18N2O3/c1-8-9(2)20-10(3)14(8)15(19)17-7-11-6-12(16)4-5-13(11)18/h4-6,18H,7,16H2,1-3H3,(H,17,19)
InChIKeyYIROZUDSZONPOV-UHFFFAOYSA-N
XLogP2.42
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.42
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]-5-methylfuran-2-carboxamide
CID 43548614
N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82827346
N-[[4-(hydroxymethyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 107231330
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-thiophen-3-ylacetamide
CID 43548608
N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide
CID 62514243
N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 43548732
N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide
CID 43548733
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 107731132
N-[(5-amino-2-hydroxyphenyl)methyl]-2-propylpentanamide
CID 82985461

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide (CID 65151478) is N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)NCc2cc(N)ccc2O)c1C.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is YIROZUDSZONPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-8-9(2)20-10(3)14(8)15(19)17-7-11-6-12(16)4-5-13(11)18/h4-6,18H,7,16H2,1-3H3,(H,17,19).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.42, 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]-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 65151478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).