N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide

C17H20BrN3O4 — CID 6063985

IUPACN-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESC#CCOc1cc(Br)c(/C=N\NC(=O)CN2CCOCC2)cc1OC
InChIInChI=1S/C17H20BrN3O4/c1-3-6-25-16-10-14(18)13(9-15(16)23-2)11-19-20-17(22)12-21-4-7-24-8-5-21/h1,9-11H,4-8,12H2,2H3,(H,20,22)/b19-11-
InChIKeyWWXIYYNPYWNNAK-ODLFYWEKSA-N
MW410.27 g/mol
LogP1.25
Rot. Bonds7

About N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide

N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 6063985) has the molecular formula C17H20BrN3O4 and a molecular weight of 410.27 g/mol. Its IUPAC name is N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID6063985
Molecular FormulaC17H20BrN3O4
Molecular Weight410.27 g/mol
Exact Mass409.06
IUPAC NameN-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESC#CCOc1cc(Br)c(/C=N\NC(=O)CN2CCOCC2)cc1OC
InChIInChI=1S/C17H20BrN3O4/c1-3-6-25-16-10-14(18)13(9-15(16)23-2)11-19-20-17(22)12-21-4-7-24-8-5-21/h1,9-11H,4-8,12H2,2H3,(H,20,22)/b19-11-
InChIKeyWWXIYYNPYWNNAK-ODLFYWEKSA-N
XLogP1.25
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[2-bromo-4-[(2-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride
CID 175666792
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6877310
N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135905102
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5344300
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135956316
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 667965
2-[5-bromo-4-[(Z)-[(2-cyanoacetyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 7264250
N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 3696139
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5411350
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 954154
N-[(Z)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6162667

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide (CID 6063985) is N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide is C#CCOc1cc(Br)c(/C=N\NC(=O)CN2CCOCC2)cc1OC.
What is the InChIKey of N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is WWXIYYNPYWNNAK-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H20BrN3O4/c1-3-6-25-16-10-14(18)13(9-15(16)23-2)11-19-20-17(22)12-21-4-7-24-8-5-21/h1,9-11H,4-8,12H2,2H3,(H,20,22)/b19-11-.
What are the key properties of N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 410.27 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 6063985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).