N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide

C15H20N4O6 — CID 5344300

IUPACN-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESCOc1cc(/C=N/NC(=O)CN2CCOCC2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H20N4O6/c1-23-13-7-11(12(19(21)22)8-14(13)24-2)9-16-17-15(20)10-18-3-5-25-6-4-18/h7-9H,3-6,10H2,1-2H3,(H,17,20)/b16-9+
InChIKeyQZCDQRCBALHRIK-CXUHLZMHSA-N
MW352.35 g/mol
LogP0.39
Rot. Bonds7

About N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide

N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 5344300) has the molecular formula C15H20N4O6 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID5344300
Molecular FormulaC15H20N4O6
Molecular Weight352.35 g/mol
Exact Mass352.14
IUPAC NameN-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESCOc1cc(/C=N/NC(=O)CN2CCOCC2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H20N4O6/c1-23-13-7-11(12(19(21)22)8-14(13)24-2)9-16-17-15(20)10-18-3-5-25-6-4-18/h7-9H,3-6,10H2,1-2H3,(H,17,20)/b16-9+
InChIKeyQZCDQRCBALHRIK-CXUHLZMHSA-N
XLogP0.39
TPSA115.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6877310
N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide
CID 110444205
N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135905102
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 126371292
N-[(Z)-(2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6063985
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137064453
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137064436
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126249967
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135956316
N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137064455
N-[(E)-[2-bromo-4-[(2-cyanophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide;hydrochloride
CID 175666792

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide (CID 5344300) is N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide is COc1cc(/C=N/NC(=O)CN2CCOCC2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is QZCDQRCBALHRIK-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H20N4O6/c1-23-13-7-11(12(19(21)22)8-14(13)24-2)9-16-17-15(20)10-18-3-5-25-6-4-18/h7-9H,3-6,10H2,1-2H3,(H,17,20)/b16-9+.
What are the key properties of N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide?
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 352.35 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 5344300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).