N-(5-hydroxy-2-adamantyl)-4-pyridin-2-yloxybutanamide

C19H26N2O3 — CID 25144647

IUPACN-(5-hydroxy-2-adamantyl)-4-pyridin-2-yloxybutanamide
SMILESO=C(CCCOc1ccccn1)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C19H26N2O3/c22-16(4-3-7-24-17-5-1-2-6-20-17)21-18-14-8-13-9-15(18)12-19(23,10-13)11-14/h1-2,5-6,13-15,18,23H,3-4,7-12H2,(H,21,22)
InChIKeyUZDYBMRVWZUWOG-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.30
Rot. Bonds6

About N-(5-hydroxy-2-adamantyl)-4-pyridin-2-yloxybutanamide

N-(5-hydroxy-2-adamantyl)-4-pyridin-2-yloxybutanamide (PubChem CID 25144647) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-4-pyridin-2-yloxybutanamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-4-pyridin-2-yloxybutanamide
PubChem CID25144647
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-(5-hydroxy-2-adamantyl)-4-pyridin-2-yloxybutanamide
SMILESO=C(CCCOc1ccccn1)NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C19H26N2O3/c22-16(4-3-7-24-17-5-1-2-6-20-17)21-18-14-8-13-9-15(18)12-19(23,10-13)11-14/h1-2,5-6,13-15,18,23H,3-4,7-12H2,(H,21,22)
InChIKeyUZDYBMRVWZUWOG-UHFFFAOYSA-N
XLogP2.30
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.30
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-(5-hydroxy-2-adamantyl)-4-pyridin-2-yloxybutanamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-4-pyridin-2-yloxybutanamide (CID 25144647) is N-(5-hydroxy-2-adamantyl)-4-pyridin-2-yloxybutanamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-4-pyridin-2-yloxybutanamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-4-pyridin-2-yloxybutanamide is O=C(CCCOc1ccccn1)NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-4-pyridin-2-yloxybutanamide?
The InChIKey is UZDYBMRVWZUWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-16(4-3-7-24-17-5-1-2-6-20-17)21-18-14-8-13-9-15(18)12-19(23,10-13)11-14/h1-2,5-6,13-15,18,23H,3-4,7-12H2,(H,21,22).
What are the key properties of N-(5-hydroxy-2-adamantyl)-4-pyridin-2-yloxybutanamide?
N-(5-hydroxy-2-adamantyl)-4-pyridin-2-yloxybutanamide has a molecular weight of 330.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-4-pyridin-2-yloxybutanamide is sourced from PubChem (CID 25144647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).