N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide

C15H20ClN3O4 — CID 6877310

IUPACN-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESCOc1cc(Cl)c(/C=N/NC(=O)CN2CCOCC2)cc1OC
InChIInChI=1S/C15H20ClN3O4/c1-21-13-7-11(12(16)8-14(13)22-2)9-17-18-15(20)10-19-3-5-23-6-4-19/h7-9H,3-6,10H2,1-2H3,(H,18,20)/b17-9+
InChIKeyWKEDIALPWYAFBJ-RQZCQDPDSA-N
MW341.80 g/mol
LogP1.14
Rot. Bonds6

About N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide

N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 6877310) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID6877310
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC NameN-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESCOc1cc(Cl)c(/C=N/NC(=O)CN2CCOCC2)cc1OC
InChIInChI=1S/C15H20ClN3O4/c1-21-13-7-11(12(16)8-14(13)22-2)9-17-18-15(20)10-19-3-5-23-6-4-19/h7-9H,3-6,10H2,1-2H3,(H,18,20)/b17-9+
InChIKeyWKEDIALPWYAFBJ-RQZCQDPDSA-N
XLogP1.14
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 51.14
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'}

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Related Compounds

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)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135905102
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5411350
N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6063985
2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide
CID 126007489
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137077970
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135956316
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 126002300
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 3330372
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide
CID 75124053
2-[(Z)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]benzoic acid
CID 5426552

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide (CID 6877310) is N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide is COc1cc(Cl)c(/C=N/NC(=O)CN2CCOCC2)cc1OC.
What is the InChIKey of N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is WKEDIALPWYAFBJ-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H20ClN3O4/c1-21-13-7-11(12(16)8-14(13)22-2)9-17-18-15(20)10-19-3-5-23-6-4-19/h7-9H,3-6,10H2,1-2H3,(H,18,20)/b17-9+.
What are the key properties of N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 341.80 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 6877310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).