N-(4-morpholin-4-ylphenyl)butanamide

C14H20N2O2 — CID 774884

IUPACN-(4-morpholin-4-ylphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-3-14(17)15-12-4-6-13(7-5-12)16-8-10-18-11-9-16/h4-7H,2-3,8-11H2,1H3,(H,15,17)
InChIKeyOIFVMEQEQURAOU-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.26
Rot. Bonds4

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

N-(4-morpholin-4-ylphenyl)butanamide (PubChem CID 774884) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)butanamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)butanamide
PubChem CID774884
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(4-morpholin-4-ylphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-3-14(17)15-12-4-6-13(7-5-12)16-8-10-18-11-9-16/h4-7H,2-3,8-11H2,1H3,(H,15,17)
InChIKeyOIFVMEQEQURAOU-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.26
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)butanamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)butanamide (CID 774884) is N-(4-morpholin-4-ylphenyl)butanamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)butanamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)butanamide is CCCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)butanamide?
The InChIKey is OIFVMEQEQURAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-14(17)15-12-4-6-13(7-5-12)16-8-10-18-11-9-16/h4-7H,2-3,8-11H2,1H3,(H,15,17).
What are the key properties of N-(4-morpholin-4-ylphenyl)butanamide?
N-(4-morpholin-4-ylphenyl)butanamide has a molecular weight of 248.33 g/mol, XLogP of 2.26, 4 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)butanamide is sourced from PubChem (CID 774884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).