N-(1-adamantyl)-2-phenoxypropanamide

C19H25NO2 — CID 2897874

IUPACN-(1-adamantyl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25NO2/c1-13(22-17-5-3-2-4-6-17)18(21)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h2-6,13-16H,7-12H2,1H3,(H,20,21)
InChIKeyXBSXNNWMBODDKJ-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.54
Rot. Bonds4

About N-(1-adamantyl)-2-phenoxypropanamide

N-(1-adamantyl)-2-phenoxypropanamide (PubChem CID 2897874) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-(1-adamantyl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-phenoxypropanamide
PubChem CID2897874
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-(1-adamantyl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25NO2/c1-13(22-17-5-3-2-4-6-17)18(21)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h2-6,13-16H,7-12H2,1H3,(H,20,21)
InChIKeyXBSXNNWMBODDKJ-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-phenoxypropanamide?
The IUPAC name of N-(1-adamantyl)-2-phenoxypropanamide (CID 2897874) is N-(1-adamantyl)-2-phenoxypropanamide.
What is the SMILES notation for N-(1-adamantyl)-2-phenoxypropanamide?
The canonical SMILES for N-(1-adamantyl)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-phenoxypropanamide?
The InChIKey is XBSXNNWMBODDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13(22-17-5-3-2-4-6-17)18(21)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h2-6,13-16H,7-12H2,1H3,(H,20,21).
What are the key properties of N-(1-adamantyl)-2-phenoxypropanamide?
N-(1-adamantyl)-2-phenoxypropanamide has a molecular weight of 299.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-phenoxypropanamide is sourced from PubChem (CID 2897874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).