7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide

C15H20N2O3 — CID 87923070

IUPAC7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide
SMILESCC(N)Cc1cc(C(=O)N(O)C(C)C)cc2ccoc12
InChIInChI=1S/C15H20N2O3/c1-9(2)17(19)15(18)13-7-11-4-5-20-14(11)12(8-13)6-10(3)16/h4-5,7-10,19H,6,16H2,1-3H3
InChIKeyPXZVQYYLFBYQTF-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.56
Rot. Bonds4

About 7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide

7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide (PubChem CID 87923070) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide
PubChem CID87923070
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide
SMILESCC(N)Cc1cc(C(=O)N(O)C(C)C)cc2ccoc12
InChIInChI=1S/C15H20N2O3/c1-9(2)17(19)15(18)13-7-11-4-5-20-14(11)12(8-13)6-10(3)16/h4-5,7-10,19H,6,16H2,1-3H3
InChIKeyPXZVQYYLFBYQTF-UHFFFAOYSA-N
XLogP2.56
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide?
The IUPAC name of 7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide (CID 87923070) is 7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide.
What is the SMILES notation for 7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide?
The canonical SMILES for 7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide is CC(N)Cc1cc(C(=O)N(O)C(C)C)cc2ccoc12.
What is the InChIKey of 7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide?
The InChIKey is PXZVQYYLFBYQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9(2)17(19)15(18)13-7-11-4-5-20-14(11)12(8-13)6-10(3)16/h4-5,7-10,19H,6,16H2,1-3H3.
What are the key properties of 7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide?
7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminopropyl)-N-hydroxy-N-propan-2-yl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 87923070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).