2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide

C16H20N2O3 — CID 107074573

IUPAC2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(CN(C(=O)c2cc(O)ccc2N)C(C)C)o1
InChIInChI=1S/C16H20N2O3/c1-10(2)18(9-13-6-4-11(3)21-13)16(20)14-8-12(19)5-7-15(14)17/h4-8,10,19H,9,17H2,1-3H3
InChIKeyDDFWUZXEJDXMHO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.93
Rot. Bonds4

About 2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide

2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 107074573) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID107074573
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCc1ccc(CN(C(=O)c2cc(O)ccc2N)C(C)C)o1
InChIInChI=1S/C16H20N2O3/c1-10(2)18(9-13-6-4-11(3)21-13)16(20)14-8-12(19)5-7-15(14)17/h4-8,10,19H,9,17H2,1-3H3
InChIKeyDDFWUZXEJDXMHO-UHFFFAOYSA-N
XLogP2.93
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107074136
5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 63859047
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 64593208
1-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 60947085
6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 66463920
2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 51124455
2-amino-5-hydroxy-N,N-bis(2-methylpropyl)benzamide
CID 107074162
5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpentanamide
CID 82011876
6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide
CID 115497521
5-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 118708596
4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 79511403

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide (CID 107074573) is 2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide is Cc1ccc(CN(C(=O)c2cc(O)ccc2N)C(C)C)o1.
What is the InChIKey of 2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is DDFWUZXEJDXMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)18(9-13-6-4-11(3)21-13)16(20)14-8-12(19)5-7-15(14)17/h4-8,10,19H,9,17H2,1-3H3.
What are the key properties of 2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide?
2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 288.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 107074573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).