2-imino-N-methyl-2-[3-methyl-2-[[(E)-1-(4-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide

C25H25N3O2 — CID 166814484

IUPAC2-imino-N-methyl-2-[3-methyl-2-[[(E)-1-(4-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
SMILES[H]/N=C(\C(=O)NC)c1cccc(C)c1CO/N=C(\C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c1-17-8-7-11-22(24(26)25(29)27-3)23(17)16-30-28-18(2)19-12-14-21(15-13-19)20-9-5-4-6-10-20/h4-15,26H,16H2,1-3H3,(H,27,29)/b26-24-,28-18+
InChIKeyKWIBHHXNWXDYAC-KYZVJGMFSA-N
MW399.49 g/mol
LogP4.72
Rot. Bonds7

About 2-imino-N-methyl-2-[3-methyl-2-[[(E)-1-(4-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide

2-imino-N-methyl-2-[3-methyl-2-[[(E)-1-(4-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide (PubChem CID 166814484) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-imino-N-methyl-2-[3-methyl-2-[[(E)-1-(4-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-imino-N-methyl-2-[3-methyl-2-[[(E)-1-(4-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
PubChem CID166814484
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-imino-N-methyl-2-[3-methyl-2-[[(E)-1-(4-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
SMILES[H]/N=C(\C(=O)NC)c1cccc(C)c1CO/N=C(\C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H25N3O2/c1-17-8-7-11-22(24(26)25(29)27-3)23(17)16-30-28-18(2)19-12-14-21(15-13-19)20-9-5-4-6-10-20/h4-15,26H,16H2,1-3H3,(H,27,29)/b26-24-,28-18+
InChIKeyKWIBHHXNWXDYAC-KYZVJGMFSA-N
XLogP4.72
TPSA74.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

methyl (2E)-2-methoxyimino-2-[3-methyl-2-[[(E)-1-(3-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetate
CID 157024030
(2E)-2-methoxyimino-N-methyl-2-[3-methyl-2-[[(E)-1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024252
(2E)-2-[2-[[(E)-1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide
CID 157024258
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024287
(2E)-2-methoxyimino-N-methyl-2-[3-methyl-2-[[(E)-1-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024147
methyl (2E)-2-[2-[[(E)-1-(4-isocyanophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyiminoacetate
CID 168786404
(2E)-2-[3-ethenyl-2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 157024023
methyl (2E)-2-methoxyimino-2-[3-methyl-2-[[(E)-1-pyridin-4-ylethylideneamino]oxymethyl]phenyl]acetate
CID 162729279
2-[2-[[(E)-1-(4-chlorophenyl)ethylideneamino]oxymethyl]-3-methylphenyl]-2-(methoxyamino)-N-methylacetamide
CID 166821315
2-[3-[4-[(E)-C-methyl-N-[(4-phenylphenyl)methoxy]carbonimidoyl]phenyl]phenyl]acetic acid
CID 59219180
(2Z)-2-[2-[[(Z)-3-formyliminobutan-2-ylideneamino]oxymethyl]-3-methylphenyl]-2-methoxyimino-N-methylacetamide
CID 54286590
methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-[(Z)-N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]acetate
CID 157024037

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-methyl-2-[3-methyl-2-[[(E)-1-(4-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide?
The IUPAC name of 2-imino-N-methyl-2-[3-methyl-2-[[(E)-1-(4-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide (CID 166814484) is 2-imino-N-methyl-2-[3-methyl-2-[[(E)-1-(4-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide.
What is the SMILES notation for 2-imino-N-methyl-2-[3-methyl-2-[[(E)-1-(4-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide?
The canonical SMILES for 2-imino-N-methyl-2-[3-methyl-2-[[(E)-1-(4-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide is [H]/N=C(\C(=O)NC)c1cccc(C)c1CO/N=C(\C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-imino-N-methyl-2-[3-methyl-2-[[(E)-1-(4-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide?
The InChIKey is KWIBHHXNWXDYAC-KYZVJGMFSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17-8-7-11-22(24(26)25(29)27-3)23(17)16-30-28-18(2)19-12-14-21(15-13-19)20-9-5-4-6-10-20/h4-15,26H,16H2,1-3H3,(H,27,29)/b26-24-,28-18+.
What are the key properties of 2-imino-N-methyl-2-[3-methyl-2-[[(E)-1-(4-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide?
2-imino-N-methyl-2-[3-methyl-2-[[(E)-1-(4-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide has a molecular weight of 399.49 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-methyl-2-[3-methyl-2-[[(E)-1-(4-phenylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide is sourced from PubChem (CID 166814484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).