(Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one

C17H24N2O3 — CID 82153475

IUPAC(Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESCC(C)COc1ccc(/C=C\C(=O)N2CCOCC2)cc1N
InChIInChI=1S/C17H24N2O3/c1-13(2)12-22-16-5-3-14(11-15(16)18)4-6-17(20)19-7-9-21-10-8-19/h3-6,11,13H,7-10,12,18H2,1-2H3/b6-4-
InChIKeyLPEYOLBOHUQNAX-XQRVVYSFSA-N
MW304.39 g/mol
LogP2.18
Rot. Bonds5

About (Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one

(Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 82153475) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one
PubChem CID82153475
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one
SMILESCC(C)COc1ccc(/C=C\C(=O)N2CCOCC2)cc1N
InChIInChI=1S/C17H24N2O3/c1-13(2)12-22-16-5-3-14(11-15(16)18)4-6-17(20)19-7-9-21-10-8-19/h3-6,11,13H,7-10,12,18H2,1-2H3/b6-4-
InChIKeyLPEYOLBOHUQNAX-XQRVVYSFSA-N
XLogP2.18
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 94760081
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-1-(azepan-1-yl)prop-2-en-1-one
CID 82153453
3-(4-acetylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 78163324
3-(4-hydroxy-3-methylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 90998248
(E)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-en-1-one
CID 71747694
(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-1-[4-(2-methylphenyl)piperazin-1-yl]prop-2-en-1-one
CID 9152183
(E)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-en-1-one
CID 26590610
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-1-(1,4-diazepan-1-yl)prop-2-en-1-one
CID 82153471
(Z)-3-(3-amino-4-butoxyphenyl)-1-(1,4-diazepan-1-yl)prop-2-en-1-one
CID 94760111
(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 93012407
(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 18227255
3-[3-bromo-4-(2-methylpropoxy)phenyl]prop-2-enehydrazide
CID 131849528

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one (CID 82153475) is (Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one is CC(C)COc1ccc(/C=C\C(=O)N2CCOCC2)cc1N.
What is the InChIKey of (Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is LPEYOLBOHUQNAX-XQRVVYSFSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(2)12-22-16-5-3-14(11-15(16)18)4-6-17(20)19-7-9-21-10-8-19/h3-6,11,13H,7-10,12,18H2,1-2H3/b6-4-.
What are the key properties of (Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one?
(Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 304.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-amino-4-(2-methylpropoxy)phenyl]-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 82153475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).