N-[(Z)-[3-[(Z)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide

C13H16N4O3 — CID 135457636

IUPACN-[(Z)-[3-[(Z)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1cc(C)cc(/C=N\NC(C)=O)c1O
InChIInChI=1S/C13H16N4O3/c1-8-4-11(6-14-16-9(2)18)13(20)12(5-8)7-15-17-10(3)19/h4-7,20H,1-3H3,(H,16,18)(H,17,19)/b14-6-,15-7-
InChIKeyBGFKDLAKXINHLA-LRSUZXNRSA-N
MW276.30 g/mol
LogP0.64
Rot. Bonds4

About N-[(Z)-[3-[(Z)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide

N-[(Z)-[3-[(Z)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide (PubChem CID 135457636) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[(Z)-[3-[(Z)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[3-[(Z)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide
PubChem CID135457636
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-[(Z)-[3-[(Z)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1cc(C)cc(/C=N\NC(C)=O)c1O
InChIInChI=1S/C13H16N4O3/c1-8-4-11(6-14-16-9(2)18)13(20)12(5-8)7-15-17-10(3)19/h4-7,20H,1-3H3,(H,16,18)(H,17,19)/b14-6-,15-7-
InChIKeyBGFKDLAKXINHLA-LRSUZXNRSA-N
XLogP0.64
TPSA103.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(Z)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide?
The IUPAC name of N-[(Z)-[3-[(Z)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide (CID 135457636) is N-[(Z)-[3-[(Z)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-[3-[(Z)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-[3-[(Z)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide is CC(=O)N/N=C\c1cc(C)cc(/C=N\NC(C)=O)c1O.
What is the InChIKey of N-[(Z)-[3-[(Z)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide?
The InChIKey is BGFKDLAKXINHLA-LRSUZXNRSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8-4-11(6-14-16-9(2)18)13(20)12(5-8)7-15-17-10(3)19/h4-7,20H,1-3H3,(H,16,18)(H,17,19)/b14-6-,15-7-.
What are the key properties of N-[(Z)-[3-[(Z)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide?
N-[(Z)-[3-[(Z)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide has a molecular weight of 276.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[(Z)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide is sourced from PubChem (CID 135457636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).