N'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide

C17H26N3O3+ — CID 2260183

IUPACN'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide
SMILESCC/C=C(/NNC(=O)C[NH+]1CCOCC1)c1ccc(OC)cc1
InChIInChI=1S/C17H25N3O3/c1-3-4-16(14-5-7-15(22-2)8-6-14)18-19-17(21)13-20-9-11-23-12-10-20/h4-8,18H,3,9-13H2,1-2H3,(H,19,21)/p+1/b16-4+
InChIKeyGPDWSNNOAIAJFD-AYSLTRBKSA-O
MW320.41 g/mol
LogP-0.02
Rot. Bonds7

About N'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide

N'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide (PubChem CID 2260183) has the molecular formula C17H26N3O3+ and a molecular weight of 320.41 g/mol. Its IUPAC name is N'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide.

Molecular Properties

Compound NameN'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide
PubChem CID2260183
Molecular FormulaC17H26N3O3+
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC NameN'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide
SMILESCC/C=C(/NNC(=O)C[NH+]1CCOCC1)c1ccc(OC)cc1
InChIInChI=1S/C17H25N3O3/c1-3-4-16(14-5-7-15(22-2)8-6-14)18-19-17(21)13-20-9-11-23-12-10-20/h4-8,18H,3,9-13H2,1-2H3,(H,19,21)/p+1/b16-4+
InChIKeyGPDWSNNOAIAJFD-AYSLTRBKSA-O
XLogP-0.02
TPSA64.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoate
CID 7360402
methyl 4-[[(2-morpholin-4-ium-4-ylacetyl)amino]methyl]benzoate
CID 8903924
1-(6-methoxynaphthalen-2-yl)-3-morpholin-4-ium-4-ylpropan-1-one chloride
CID 2748202
4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148385
2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7155155
4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide
CID 7618207
N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide
CID 8587287
13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
CID 7065404
(E)-[2-(4-methoxycarbonylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-(4-methoxyphenyl)methanolate
CID 6246994
(4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8793434
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide
CID 7195031
(E)-3-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)prop-2-enamide
CID 6998532

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide?
The IUPAC name of N'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide (CID 2260183) is N'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide.
What is the SMILES notation for N'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide?
The canonical SMILES for N'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide is CC/C=C(/NNC(=O)C[NH+]1CCOCC1)c1ccc(OC)cc1.
What is the InChIKey of N'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide?
The InChIKey is GPDWSNNOAIAJFD-AYSLTRBKSA-O. The full InChI is InChI=1S/C17H25N3O3/c1-3-4-16(14-5-7-15(22-2)8-6-14)18-19-17(21)13-20-9-11-23-12-10-20/h4-8,18H,3,9-13H2,1-2H3,(H,19,21)/p+1/b16-4+.
What are the key properties of N'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide?
N'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide has a molecular weight of 320.41 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(4-methoxyphenyl)but-1-enyl]-2-morpholin-4-ium-4-ylacetohydrazide is sourced from PubChem (CID 2260183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).