N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide

C16H19Br2N3O3 — CID 6162667

IUPACN-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESC=CCOc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br
InChIInChI=1S/C16H19Br2N3O3/c1-2-5-24-16-13(17)8-12(9-14(16)18)10-19-20-15(22)11-21-3-6-23-7-4-21/h2,8-10H,1,3-7,11H2,(H,20,22)/b19-10-
InChIKeyZVAQNGBBKSGXEC-GRSHGNNSSA-N
MW461.15 g/mol
LogP2.56
Rot. Bonds7

About N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide

N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 6162667) has the molecular formula C16H19Br2N3O3 and a molecular weight of 461.15 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID6162667
Molecular FormulaC16H19Br2N3O3
Molecular Weight461.15 g/mol
Exact Mass458.98
IUPAC NameN-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESC=CCOc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br
InChIInChI=1S/C16H19Br2N3O3/c1-2-5-24-16-13(17)8-12(9-14(16)18)10-19-20-15(22)11-21-3-6-23-7-4-21/h2,8-10H,1,3-7,11H2,(H,20,22)/b19-10-
InChIKeyZVAQNGBBKSGXEC-GRSHGNNSSA-N
XLogP2.56
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.15
LogP ≤ 52.56
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

2-morpholin-4-yl-N-[(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 3110493
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 126002300
N-[(E)-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6876349
N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5369240
N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126001303
N-[(E)-[3-bromo-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124533854
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 26368175
2-(4-chlorophenyl)sulfanyl-N-[(E)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 126214868
N-[(E)-[3-bromo-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124533859
N-[[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride
CID 171155004
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135956316
N-[(E)-[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124602142

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide (CID 6162667) is N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide is C=CCOc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br.
What is the InChIKey of N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is ZVAQNGBBKSGXEC-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H19Br2N3O3/c1-2-5-24-16-13(17)8-12(9-14(16)18)10-19-20-15(22)11-21-3-6-23-7-4-21/h2,8-10H,1,3-7,11H2,(H,20,22)/b19-10-.
What are the key properties of N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 461.15 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 6162667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).