4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one

C15H22N2O3 — CID 61028358

IUPAC4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one
SMILESCNc1ccc(OCCCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-16-13-4-6-14(7-5-13)20-10-2-3-15(18)17-8-11-19-12-9-17/h4-7,16H,2-3,8-12H2,1H3
InChIKeyAWPVYSMEGUELNZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.75
Rot. Bonds6

About 4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one

4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one (PubChem CID 61028358) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one
PubChem CID61028358
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one
SMILESCNc1ccc(OCCCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-16-13-4-6-14(7-5-13)20-10-2-3-15(18)17-8-11-19-12-9-17/h4-7,16H,2-3,8-12H2,1H3
InChIKeyAWPVYSMEGUELNZ-UHFFFAOYSA-N
XLogP1.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone
CID 54821789
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone
CID 61026928
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone
CID 117097700
1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone
CID 54825335
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119559826
1-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione
CID 55470812
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 54909269

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one (CID 61028358) is 4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one is CNc1ccc(OCCCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one?
The InChIKey is AWPVYSMEGUELNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-13-4-6-14(7-5-13)20-10-2-3-15(18)17-8-11-19-12-9-17/h4-7,16H,2-3,8-12H2,1H3.
What are the key properties of 4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one?
4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 61028358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).