2-cyclohexyl-N-(2,4-dimorpholin-4-ylphenyl)acetamide

C22H33N3O3 — CID 4799295

IUPAC2-cyclohexyl-N-(2,4-dimorpholin-4-ylphenyl)acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C22H33N3O3/c26-22(16-18-4-2-1-3-5-18)23-20-7-6-19(24-8-12-27-13-9-24)17-21(20)25-10-14-28-15-11-25/h6-7,17-18H,1-5,8-16H2,(H,23,26)
InChIKeyPEPZVGVNZCSAIB-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.27
Rot. Bonds5

About 2-cyclohexyl-N-(2,4-dimorpholin-4-ylphenyl)acetamide

2-cyclohexyl-N-(2,4-dimorpholin-4-ylphenyl)acetamide (PubChem CID 4799295) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2,4-dimorpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(2,4-dimorpholin-4-ylphenyl)acetamide
PubChem CID4799295
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name2-cyclohexyl-N-(2,4-dimorpholin-4-ylphenyl)acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1
InChIInChI=1S/C22H33N3O3/c26-22(16-18-4-2-1-3-5-18)23-20-7-6-19(24-8-12-27-13-9-24)17-21(20)25-10-14-28-15-11-25/h6-7,17-18H,1-5,8-16H2,(H,23,26)
InChIKeyPEPZVGVNZCSAIB-UHFFFAOYSA-N
XLogP3.27
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2,4-dimorpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(2,4-dimorpholin-4-ylphenyl)acetamide (CID 4799295) is 2-cyclohexyl-N-(2,4-dimorpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(2,4-dimorpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(2,4-dimorpholin-4-ylphenyl)acetamide is O=C(CC1CCCCC1)Nc1ccc(N2CCOCC2)cc1N1CCOCC1.
What is the InChIKey of 2-cyclohexyl-N-(2,4-dimorpholin-4-ylphenyl)acetamide?
The InChIKey is PEPZVGVNZCSAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c26-22(16-18-4-2-1-3-5-18)23-20-7-6-19(24-8-12-27-13-9-24)17-21(20)25-10-14-28-15-11-25/h6-7,17-18H,1-5,8-16H2,(H,23,26).
What are the key properties of 2-cyclohexyl-N-(2,4-dimorpholin-4-ylphenyl)acetamide?
2-cyclohexyl-N-(2,4-dimorpholin-4-ylphenyl)acetamide has a molecular weight of 387.52 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2,4-dimorpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4799295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).