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

C16H17N3O2 — CID 5340599

IUPACN-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)N/N=C\c2cccc(O)c2)cc1
InChIInChI=1S/C16H17N3O2/c1-12-5-7-14(8-6-12)17-11-16(21)19-18-10-13-3-2-4-15(20)9-13/h2-10,17,20H,11H2,1H3,(H,19,21)/b18-10-
InChIKeyUSFGFRXBDMXESZ-ZDLGFXPLSA-N
MW283.33 g/mol
LogP2.26
Rot. Bonds5

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

N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide (PubChem CID 5340599) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
PubChem CID5340599
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)N/N=C\c2cccc(O)c2)cc1
InChIInChI=1S/C16H17N3O2/c1-12-5-7-14(8-6-12)17-11-16(21)19-18-10-13-3-2-4-15(20)9-13/h2-10,17,20H,11H2,1H3,(H,19,21)/b18-10-
InChIKeyUSFGFRXBDMXESZ-ZDLGFXPLSA-N
XLogP2.26
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.26
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide (CID 5340599) is N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide is Cc1ccc(NCC(=O)N/N=C\c2cccc(O)c2)cc1.
What is the InChIKey of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The InChIKey is USFGFRXBDMXESZ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-5-7-14(8-6-12)17-11-16(21)19-18-10-13-3-2-4-15(20)9-13/h2-10,17,20H,11H2,1H3,(H,19,21)/b18-10-.
What are the key properties of N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide has a molecular weight of 283.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 5340599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).