N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide

C18H19N3O5 — CID 126371292

IUPACN-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide
SMILESCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H19N3O5/c1-12-4-6-13(7-5-12)8-18(22)20-19-11-14-9-16(25-2)17(26-3)10-15(14)21(23)24/h4-7,9-11H,8H2,1-3H3,(H,20,22)/b19-11-
InChIKeyXDRQCGHUVHEWFU-ODLFYWEKSA-N
MW357.37 g/mol
LogP2.61
Rot. Bonds7

About N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide

N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide (PubChem CID 126371292) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide
PubChem CID126371292
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide
SMILESCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H19N3O5/c1-12-4-6-13(7-5-12)8-18(22)20-19-11-14-9-16(25-2)17(26-3)10-15(14)21(23)24/h4-7,9-11H,8H2,1-3H3,(H,20,22)/b19-11-
InChIKeyXDRQCGHUVHEWFU-ODLFYWEKSA-N
XLogP2.61
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126249967
2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide
CID 110515806
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 9315979
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 126037543
N-[2-[2-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 3836904
N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5344300
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 5370784
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 136800675
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide
CID 4631028
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 3623304
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-methoxybenzamide
CID 6169330
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 1010029

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide (CID 126371292) is N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide is COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide?
The InChIKey is XDRQCGHUVHEWFU-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-12-4-6-13(7-5-12)8-18(22)20-19-11-14-9-16(25-2)17(26-3)10-15(14)21(23)24/h4-7,9-11H,8H2,1-3H3,(H,20,22)/b19-11-.
What are the key properties of N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide?
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide has a molecular weight of 357.37 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 126371292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).