2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C23H36N2O3 — CID 8502055

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NCC2(N3CCOCC3)CCCCC2)c1
InChIInChI=1S/C23H36N2O3/c1-18(2)20-8-7-19(3)15-21(20)28-16-22(26)24-17-23(9-5-4-6-10-23)25-11-13-27-14-12-25/h7-8,15,18H,4-6,9-14,16-17H2,1-3H3,(H,24,26)
InChIKeyIVACQVBOPXYRDC-UHFFFAOYSA-N
MW388.55 g/mol
LogP3.65
Rot. Bonds7

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 8502055) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID8502055
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NCC2(N3CCOCC3)CCCCC2)c1
InChIInChI=1S/C23H36N2O3/c1-18(2)20-8-7-19(3)15-21(20)28-16-22(26)24-17-23(9-5-4-6-10-23)25-11-13-27-14-12-25/h7-8,15,18H,4-6,9-14,16-17H2,1-3H3,(H,24,26)
InChIKeyIVACQVBOPXYRDC-UHFFFAOYSA-N
XLogP3.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 8502055) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is Cc1ccc(C(C)C)c(OCC(=O)NCC2(N3CCOCC3)CCCCC2)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is IVACQVBOPXYRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-18(2)20-8-7-19(3)15-21(20)28-16-22(26)24-17-23(9-5-4-6-10-23)25-11-13-27-14-12-25/h7-8,15,18H,4-6,9-14,16-17H2,1-3H3,(H,24,26).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 388.55 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 8502055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).