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

C16H17N3O2 — CID 110515236

IUPAC2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N\NC(=O)Cc2ccc(N)cc2)c1
InChIInChI=1S/C16H17N3O2/c1-21-15-4-2-3-13(9-15)11-18-19-16(20)10-12-5-7-14(17)8-6-12/h2-9,11H,10,17H2,1H3,(H,19,20)/b18-11-
InChIKeyQXROIUDBLDOHMF-WQRHYEAKSA-N
MW283.33 g/mol
LogP1.97
Rot. Bonds5

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

2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 110515236) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
PubChem CID110515236
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N\NC(=O)Cc2ccc(N)cc2)c1
InChIInChI=1S/C16H17N3O2/c1-21-15-4-2-3-13(9-15)11-18-19-16(20)10-12-5-7-14(17)8-6-12/h2-9,11H,10,17H2,1H3,(H,19,20)/b18-11-
InChIKeyQXROIUDBLDOHMF-WQRHYEAKSA-N
XLogP1.97
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5425302
2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 92657855
N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 5334959
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 110515234
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-2-phenylacetamide
CID 6001372
N-[(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 136618840
N-(3-methoxyphenyl)-N'-[(3-methoxyphenyl)methylideneamino]propanediamide
CID 4042396
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 135538036
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide (CID 110515236) is 2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide is COc1cccc(/C=N\NC(=O)Cc2ccc(N)cc2)c1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is QXROIUDBLDOHMF-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-21-15-4-2-3-13(9-15)11-18-19-16(20)10-12-5-7-14(17)8-6-12/h2-9,11H,10,17H2,1H3,(H,19,20)/b18-11-.
What are the key properties of 2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide?
2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 283.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 110515236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).