2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide

C16H21N3O3 — CID 3110493

IUPAC2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide
SMILESC=CCOc1cccc(C=NNC(=O)CN2CCOCC2)c1
InChIInChI=1S/C16H21N3O3/c1-2-8-22-15-5-3-4-14(11-15)12-17-18-16(20)13-19-6-9-21-10-7-19/h2-5,11-12H,1,6-10,13H2,(H,18,20)
InChIKeyMRGBXHBENPXSRQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.03
Rot. Bonds7

About 2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide

2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide (PubChem CID 3110493) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide
PubChem CID3110493
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide
SMILESC=CCOc1cccc(C=NNC(=O)CN2CCOCC2)c1
InChIInChI=1S/C16H21N3O3/c1-2-8-22-15-5-3-4-14(11-15)12-17-18-16(20)13-19-6-9-21-10-7-19/h2-5,11-12H,1,6-10,13H2,(H,18,20)
InChIKeyMRGBXHBENPXSRQ-UHFFFAOYSA-N
XLogP1.03
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6162667
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 126144862
2-(benzotriazol-1-yl)-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 8976200
2-[(4-methylphenyl)methylsulfanyl]-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5025244
N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5369240
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135956316
N-[(3-hydroxyphenyl)methylideneamino]-2-thiomorpholin-4-ylacetamide
CID 786045
N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 126007524
2-[2-iodo-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126004617
2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6876861
4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 9016622
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 126002300

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide (CID 3110493) is 2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide is C=CCOc1cccc(C=NNC(=O)CN2CCOCC2)c1.
What is the InChIKey of 2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide?
The InChIKey is MRGBXHBENPXSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-8-22-15-5-3-4-14(11-15)12-17-18-16(20)13-19-6-9-21-10-7-19/h2-5,11-12H,1,6-10,13H2,(H,18,20).
What are the key properties of 2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide?
2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide has a molecular weight of 303.36 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 3110493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).