2-cyclohexyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide

C21H32N2O3 — CID 25015043

IUPAC2-cyclohexyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C21H32N2O3/c24-21(16-18-6-2-1-3-7-18)22-19-8-4-9-20(17-19)26-13-5-10-23-11-14-25-15-12-23/h4,8-9,17-18H,1-3,5-7,10-16H2,(H,22,24)
InChIKeyFZBRFVOKJYIMPC-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.70
Rot. Bonds8

About 2-cyclohexyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide

2-cyclohexyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide (PubChem CID 25015043) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-cyclohexyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
PubChem CID25015043
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name2-cyclohexyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C21H32N2O3/c24-21(16-18-6-2-1-3-7-18)22-19-8-4-9-20(17-19)26-13-5-10-23-11-14-25-15-12-23/h4,8-9,17-18H,1-3,5-7,10-16H2,(H,22,24)
InChIKeyFZBRFVOKJYIMPC-UHFFFAOYSA-N
XLogP3.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide (CID 25015043) is 2-cyclohexyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide is O=C(CC1CCCCC1)Nc1cccc(OCCCN2CCOCC2)c1.
What is the InChIKey of 2-cyclohexyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The InChIKey is FZBRFVOKJYIMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c24-21(16-18-6-2-1-3-7-18)22-19-8-4-9-20(17-19)26-13-5-10-23-11-14-25-15-12-23/h4,8-9,17-18H,1-3,5-7,10-16H2,(H,22,24).
What are the key properties of 2-cyclohexyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
2-cyclohexyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide has a molecular weight of 360.50 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide is sourced from PubChem (CID 25015043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).