N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide

C22H20N2O2 — CID 6873111

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
SMILESCOc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-26-20-14-12-17(13-15-20)16-23-24-22(25)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,21H,1H3,(H,24,25)/b23-16+
InChIKeyIVKIWENBGYGZLA-XQNSMLJCSA-N
MW344.41 g/mol
LogP3.98
Rot. Bonds6

About N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide (PubChem CID 6873111) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
PubChem CID6873111
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
SMILESCOc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O2/c1-26-20-14-12-17(13-15-20)16-23-24-22(25)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,21H,1H3,(H,24,25)/b23-16+
InChIKeyIVKIWENBGYGZLA-XQNSMLJCSA-N
XLogP3.98
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2R)-2-hydroxy-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 40516770
N-[(4-bromophenyl)methylideneamino]-2,2-diphenylacetamide
CID 3462678
N-[(E)-benzylideneamino]-2-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 20843507
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135679569
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 3462683
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 5499697
2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 6081951
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 94833111
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626
N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3940668
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide (CID 6873111) is N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide is COc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide?
The InChIKey is IVKIWENBGYGZLA-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-26-20-14-12-17(13-15-20)16-23-24-22(25)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,21H,1H3,(H,24,25)/b23-16+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide has a molecular weight of 344.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 6873111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).