1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone

C15H20N2O3 — CID 54821508

IUPAC1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone
SMILESC=CCOc1ccc(NCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-2-9-20-14-5-3-13(4-6-14)16-12-15(18)17-7-10-19-11-8-17/h2-6,16H,1,7-12H2
InChIKeyBBJCTVMCVGZRTK-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.52
Rot. Bonds6

About 1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone

1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone (PubChem CID 54821508) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone
PubChem CID54821508
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone
SMILESC=CCOc1ccc(NCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-2-9-20-14-5-3-13(4-6-14)16-12-15(18)17-7-10-19-11-8-17/h2-6,16H,1,7-12H2
InChIKeyBBJCTVMCVGZRTK-UHFFFAOYSA-N
XLogP1.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.52
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone
CID 54821789
1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone
CID 54825335
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-4-prop-2-enoxybenzamide
CID 39940708
methyl 4-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 26417352
2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone
CID 28579517
N-methyl-2-(4-prop-2-enoxyanilino)acetamide
CID 54821477
2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone
CID 117097700
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
2-(4-bromo-3,5-dimethylanilino)-1-morpholin-4-ylethanone
CID 103579710
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one
CID 61028358

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone (CID 54821508) is 1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone is C=CCOc1ccc(NCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone?
The InChIKey is BBJCTVMCVGZRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-9-20-14-5-3-13(4-6-14)16-12-15(18)17-7-10-19-11-8-17/h2-6,16H,1,7-12H2.
What are the key properties of 1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone?
1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone has a molecular weight of 276.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone is sourced from PubChem (CID 54821508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).