3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide

C19H28N2O2 — CID 7409256

IUPAC3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H28N2O2/c22-19(11-6-16-4-2-1-3-5-16)20-17-7-9-18(10-8-17)21-12-14-23-15-13-21/h7-10,16H,1-6,11-15H2,(H,20,22)
InChIKeyJJYDTAYBQHDLQA-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.82
Rot. Bonds5

About 3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide

3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 7409256) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID7409256
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H28N2O2/c22-19(11-6-16-4-2-1-3-5-16)20-17-7-9-18(10-8-17)21-12-14-23-15-13-21/h7-10,16H,1-6,11-15H2,(H,20,22)
InChIKeyJJYDTAYBQHDLQA-UHFFFAOYSA-N
XLogP3.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.82
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 3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide (CID 7409256) is 3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide is O=C(CCC1CCCCC1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is JJYDTAYBQHDLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-19(11-6-16-4-2-1-3-5-16)20-17-7-9-18(10-8-17)21-12-14-23-15-13-21/h7-10,16H,1-6,11-15H2,(H,20,22).
What are the key properties of 3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide?
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 316.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 7409256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).