N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide

C17H19N3O2 — CID 689442

IUPACN-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCOc1cccc(C=NNC(=O)CNc2ccc(C)cc2)c1
InChIInChI=1S/C17H19N3O2/c1-13-6-8-15(9-7-13)18-12-17(21)20-19-11-14-4-3-5-16(10-14)22-2/h3-11,18H,12H2,1-2H3,(H,20,21)
InChIKeyUOTITNMIFVPRTC-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.57
Rot. Bonds6

About N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide

N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide (PubChem CID 689442) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
PubChem CID689442
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCOc1cccc(C=NNC(=O)CNc2ccc(C)cc2)c1
InChIInChI=1S/C17H19N3O2/c1-13-6-8-15(9-7-13)18-12-17(21)20-19-11-14-4-3-5-16(10-14)22-2/h3-11,18H,12H2,1-2H3,(H,20,21)
InChIKeyUOTITNMIFVPRTC-UHFFFAOYSA-N
XLogP2.57
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.57
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

N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
[3-[[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 1368799
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 871407
2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 92657855
2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide
CID 4537555
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
[3-[[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 3309363
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
CID 4042396
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
N-[(3-methoxyphenyl)methylideneamino]-4-[[4-[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 68900901
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135515696
N-[(E)-(3-methoxyphenyl)methylideneamino]-4-[[4-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide
CID 89119419

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide (CID 689442) is N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide is COc1cccc(C=NNC(=O)CNc2ccc(C)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The InChIKey is UOTITNMIFVPRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-6-8-15(9-7-13)18-12-17(21)20-19-11-14-4-3-5-16(10-14)22-2/h3-11,18H,12H2,1-2H3,(H,20,21).
What are the key properties of N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 689442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).