N-(1-adamantyl)-2-(2-cyanophenoxy)acetamide

C19H22N2O2 — CID 3688284

IUPACN-(1-adamantyl)-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H22N2O2/c20-11-16-3-1-2-4-17(16)23-12-18(22)21-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-10,12H2,(H,21,22)
InChIKeyINKRZGLULUFQBM-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.02
Rot. Bonds4

About N-(1-adamantyl)-2-(2-cyanophenoxy)acetamide

N-(1-adamantyl)-2-(2-cyanophenoxy)acetamide (PubChem CID 3688284) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2-cyanophenoxy)acetamide
PubChem CID3688284
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(1-adamantyl)-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H22N2O2/c20-11-16-3-1-2-4-17(16)23-12-18(22)21-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-10,12H2,(H,21,22)
InChIKeyINKRZGLULUFQBM-UHFFFAOYSA-N
XLogP3.02
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(2-cyanophenoxy)acetamide (CID 3688284) is N-(1-adamantyl)-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(2-cyanophenoxy)acetamide is N#Cc1ccccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(2-cyanophenoxy)acetamide?
The InChIKey is INKRZGLULUFQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c20-11-16-3-1-2-4-17(16)23-12-18(22)21-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-10,12H2,(H,21,22).
What are the key properties of N-(1-adamantyl)-2-(2-cyanophenoxy)acetamide?
N-(1-adamantyl)-2-(2-cyanophenoxy)acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 3688284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).