N-(1-adamantyl)-2-(4-methylphenoxy)acetamide

C19H25NO2 — CID 2877996

IUPACN-(1-adamantyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H25NO2/c1-13-2-4-17(5-3-13)22-12-18(21)20-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3,(H,20,21)
InChIKeyGPQICROEGDMQEQ-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.46
Rot. Bonds4

About N-(1-adamantyl)-2-(4-methylphenoxy)acetamide

N-(1-adamantyl)-2-(4-methylphenoxy)acetamide (PubChem CID 2877996) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(4-methylphenoxy)acetamide
PubChem CID2877996
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-(1-adamantyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H25NO2/c1-13-2-4-17(5-3-13)22-12-18(21)20-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3,(H,20,21)
InChIKeyGPQICROEGDMQEQ-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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-(4-methylphenoxy)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(4-methylphenoxy)acetamide (CID 2877996) is N-(1-adamantyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is GPQICROEGDMQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13-2-4-17(5-3-13)22-12-18(21)20-19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3,(H,20,21).
What are the key properties of N-(1-adamantyl)-2-(4-methylphenoxy)acetamide?
N-(1-adamantyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 299.41 g/mol, XLogP of 3.46, 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-(4-methylphenoxy)acetamide is sourced from PubChem (CID 2877996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).