N-(4-morpholin-4-ylphenyl)cyclohexanecarboxamide

C17H24N2O2 — CID 2571316

IUPACN-(4-morpholin-4-ylphenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2O2/c20-17(14-4-2-1-3-5-14)18-15-6-8-16(9-7-15)19-10-12-21-13-11-19/h6-9,14H,1-5,10-13H2,(H,18,20)
InChIKeyPEXPEVKGGIPCTF-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.04
Rot. Bonds3

About N-(4-morpholin-4-ylphenyl)cyclohexanecarboxamide

N-(4-morpholin-4-ylphenyl)cyclohexanecarboxamide (PubChem CID 2571316) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)cyclohexanecarboxamide
PubChem CID2571316
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(4-morpholin-4-ylphenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2O2/c20-17(14-4-2-1-3-5-14)18-15-6-8-16(9-7-15)19-10-12-21-13-11-19/h6-9,14H,1-5,10-13H2,(H,18,20)
InChIKeyPEXPEVKGGIPCTF-UHFFFAOYSA-N
XLogP3.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)cyclohexanecarboxamide (CID 2571316) is N-(4-morpholin-4-ylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)cyclohexanecarboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)C1CCCCC1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)cyclohexanecarboxamide?
The InChIKey is PEXPEVKGGIPCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(14-4-2-1-3-5-14)18-15-6-8-16(9-7-15)19-10-12-21-13-11-19/h6-9,14H,1-5,10-13H2,(H,18,20).
What are the key properties of N-(4-morpholin-4-ylphenyl)cyclohexanecarboxamide?
N-(4-morpholin-4-ylphenyl)cyclohexanecarboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 2571316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).