1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one

C15H22N2O2 — CID 174864806

IUPAC1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one
SMILESCCC(=O)C(NC)c1ccccc1N1CCOCC1
InChIInChI=1S/C15H22N2O2/c1-3-14(18)15(16-2)12-6-4-5-7-13(12)17-8-10-19-11-9-17/h4-7,15-16H,3,8-11H2,1-2H3
InChIKeyIKLJDDGQBMNVLT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.76
Rot. Bonds5

About 1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one

1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one (PubChem CID 174864806) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one.

Molecular Properties

Compound Name1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one
PubChem CID174864806
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one
SMILESCCC(=O)C(NC)c1ccccc1N1CCOCC1
InChIInChI=1S/C15H22N2O2/c1-3-14(18)15(16-2)12-6-4-5-7-13(12)17-8-10-19-11-9-17/h4-7,15-16H,3,8-11H2,1-2H3
InChIKeyIKLJDDGQBMNVLT-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one?
The IUPAC name of 1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one (CID 174864806) is 1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one.
What is the SMILES notation for 1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one?
The canonical SMILES for 1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one is CCC(=O)C(NC)c1ccccc1N1CCOCC1.
What is the InChIKey of 1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one?
The InChIKey is IKLJDDGQBMNVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-14(18)15(16-2)12-6-4-5-7-13(12)17-8-10-19-11-9-17/h4-7,15-16H,3,8-11H2,1-2H3.
What are the key properties of 1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one?
1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-2-one is sourced from PubChem (CID 174864806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).