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

C15H22N2O2 — CID 960348

IUPAC3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
SMILESCC(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-12(2)11-15(18)16-13-3-5-14(6-4-13)17-7-9-19-10-8-17/h3-6,12H,7-11H2,1-2H3,(H,16,18)
InChIKeyBABLWJLBSIZOOL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.51
Rot. Bonds4

About 3-methyl-N-(4-morpholin-4-ylphenyl)butanamide

3-methyl-N-(4-morpholin-4-ylphenyl)butanamide (PubChem CID 960348) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-methyl-N-(4-morpholin-4-ylphenyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
PubChem CID960348
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
SMILESCC(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-12(2)11-15(18)16-13-3-5-14(6-4-13)17-7-9-19-10-8-17/h3-6,12H,7-11H2,1-2H3,(H,16,18)
InChIKeyBABLWJLBSIZOOL-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.51
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-methyl-N-(4-morpholin-4-ylphenyl)butanamide?
The IUPAC name of 3-methyl-N-(4-morpholin-4-ylphenyl)butanamide (CID 960348) is 3-methyl-N-(4-morpholin-4-ylphenyl)butanamide.
What is the SMILES notation for 3-methyl-N-(4-morpholin-4-ylphenyl)butanamide?
The canonical SMILES for 3-methyl-N-(4-morpholin-4-ylphenyl)butanamide is CC(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-methyl-N-(4-morpholin-4-ylphenyl)butanamide?
The InChIKey is BABLWJLBSIZOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(2)11-15(18)16-13-3-5-14(6-4-13)17-7-9-19-10-8-17/h3-6,12H,7-11H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-N-(4-morpholin-4-ylphenyl)butanamide?
3-methyl-N-(4-morpholin-4-ylphenyl)butanamide has a molecular weight of 262.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-morpholin-4-ylphenyl)butanamide is sourced from PubChem (CID 960348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).