N-hexyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

C19H24N2O3 — CID 54679660

IUPACN-hexyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCCCCCCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C19H24N2O3/c1-2-3-4-5-11-20-18(23)15-17(22)14-10-6-8-13-9-7-12-21(16(13)14)19(15)24/h6,8,10,22H,2-5,7,9,11-12H2,1H3,(H,20,23)
InChIKeyNNJFYVRULQCYBW-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.96
Rot. Bonds6

About N-hexyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

N-hexyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 54679660) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-hexyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
PubChem CID54679660
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-hexyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCCCCCCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3
InChIInChI=1S/C19H24N2O3/c1-2-3-4-5-11-20-18(23)15-17(22)14-10-6-8-13-9-7-12-21(16(13)14)19(15)24/h6,8,10,22H,2-5,7,9,11-12H2,1H3,(H,20,23)
InChIKeyNNJFYVRULQCYBW-UHFFFAOYSA-N
XLogP2.96
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The IUPAC name of N-hexyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 54679660) is N-hexyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.
What is the SMILES notation for N-hexyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The canonical SMILES for N-hexyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is CCCCCCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3.
What is the InChIKey of N-hexyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is NNJFYVRULQCYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-3-4-5-11-20-18(23)15-17(22)14-10-6-8-13-9-7-12-21(16(13)14)19(15)24/h6,8,10,22H,2-5,7,9,11-12H2,1H3,(H,20,23).
What are the key properties of N-hexyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
N-hexyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 54679660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).