2-(1-adamantyl)-N-(3-hydroxypropyl)acetamide

C15H25NO2 — CID 43389989

IUPAC2-(1-adamantyl)-N-(3-hydroxypropyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCCO
InChIInChI=1S/C15H25NO2/c17-3-1-2-16-14(18)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13,17H,1-10H2,(H,16,18)
InChIKeyKYAGTOBFYZAGNI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.09
Rot. Bonds5

About 2-(1-adamantyl)-N-(3-hydroxypropyl)acetamide

2-(1-adamantyl)-N-(3-hydroxypropyl)acetamide (PubChem CID 43389989) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(3-hydroxypropyl)acetamide
PubChem CID43389989
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(1-adamantyl)-N-(3-hydroxypropyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCCO
InChIInChI=1S/C15H25NO2/c17-3-1-2-16-14(18)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13,17H,1-10H2,(H,16,18)
InChIKeyKYAGTOBFYZAGNI-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(1-adamantyl)-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(3-hydroxypropyl)acetamide (CID 43389989) is 2-(1-adamantyl)-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(3-hydroxypropyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCCCO.
What is the InChIKey of 2-(1-adamantyl)-N-(3-hydroxypropyl)acetamide?
The InChIKey is KYAGTOBFYZAGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-3-1-2-16-14(18)10-15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13,17H,1-10H2,(H,16,18).
What are the key properties of 2-(1-adamantyl)-N-(3-hydroxypropyl)acetamide?
2-(1-adamantyl)-N-(3-hydroxypropyl)acetamide has a molecular weight of 251.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 43389989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).