2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

C22H23N3O3 — CID 90633295

IUPAC2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESO=C(COc1ccc2ccccc2c1)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C22H23N3O3/c26-21(15-27-20-9-6-16-4-1-2-5-17(16)14-20)25-18-7-10-19(11-8-18)28-22-23-12-3-13-24-22/h1-6,9,12-14,18-19H,7-8,10-11,15H2,(H,25,26)
InChIKeyARDSBASTEBKZCN-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.52
Rot. Bonds6

About 2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (PubChem CID 90633295) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
PubChem CID90633295
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESO=C(COc1ccc2ccccc2c1)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C22H23N3O3/c26-21(15-27-20-9-6-16-4-1-2-5-17(16)14-20)25-18-7-10-19(11-8-18)28-22-23-12-3-13-24-22/h1-6,9,12-14,18-19H,7-8,10-11,15H2,(H,25,26)
InChIKeyARDSBASTEBKZCN-UHFFFAOYSA-N
XLogP3.52
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (CID 90633295) is 2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is O=C(COc1ccc2ccccc2c1)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The InChIKey is ARDSBASTEBKZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21(15-27-20-9-6-16-4-1-2-5-17(16)14-20)25-18-7-10-19(11-8-18)28-22-23-12-3-13-24-22/h1-6,9,12-14,18-19H,7-8,10-11,15H2,(H,25,26).
What are the key properties of 2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is sourced from PubChem (CID 90633295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).