2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide

C24H25N3O2 — CID 6052254

IUPAC2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCc1cccc(C)c1NCC(=O)N/N=C\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H25N3O2/c1-18-8-6-9-19(2)24(18)25-16-23(28)27-26-15-21-12-7-13-22(14-21)29-17-20-10-4-3-5-11-20/h3-15,25H,16-17H2,1-2H3,(H,27,28)/b26-15-
InChIKeyONLKZCYLJBXHOS-YSMPRRRNSA-N
MW387.48 g/mol
LogP4.44
Rot. Bonds8

About 2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide

2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 6052254) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID6052254
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCc1cccc(C)c1NCC(=O)N/N=C\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H25N3O2/c1-18-8-6-9-19(2)24(18)25-16-23(28)27-26-15-21-12-7-13-22(14-21)29-17-20-10-4-3-5-11-20/h3-15,25H,16-17H2,1-2H3,(H,27,28)/b26-15-
InChIKeyONLKZCYLJBXHOS-YSMPRRRNSA-N
XLogP4.44
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.44
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

2-(2,6-dimethylanilino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3726528
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide
CID 6078696
N-(2,6-dimethylphenyl)-N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5082451
methyl 4-[[3-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3955711
1-methyl-3-[(E)-(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7728948
1-(2-methylphenyl)-3-[(E)-(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 6904284
N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
CID 3503130
N-(4-methylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3704074
N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 4128401
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide (CID 6052254) is 2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is Cc1cccc(C)c1NCC(=O)N/N=C\c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is ONLKZCYLJBXHOS-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-18-8-6-9-19(2)24(18)25-16-23(28)27-26-15-21-12-7-13-22(14-21)29-17-20-10-4-3-5-11-20/h3-15,25H,16-17H2,1-2H3,(H,27,28)/b26-15-.
What are the key properties of 2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 387.48 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6052254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).