N-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide

C15H20N4O3 — CID 829518

IUPACN-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cc(C(C)C)cc(C=NNC(C)=O)c1O
InChIInChI=1S/C15H20N4O3/c1-9(2)12-5-13(7-16-18-10(3)20)15(22)14(6-12)8-17-19-11(4)21/h5-9,22H,1-4H3,(H,18,20)(H,19,21)
InChIKeyKCVJUJSNWAFDGU-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.46
Rot. Bonds5

About N-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide

N-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide (PubChem CID 829518) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide
PubChem CID829518
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cc(C(C)C)cc(C=NNC(C)=O)c1O
InChIInChI=1S/C15H20N4O3/c1-9(2)12-5-13(7-16-18-10(3)20)15(22)14(6-12)8-17-19-11(4)21/h5-9,22H,1-4H3,(H,18,20)(H,19,21)
InChIKeyKCVJUJSNWAFDGU-UHFFFAOYSA-N
XLogP1.46
TPSA103.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.46
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-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide?
The IUPAC name of N-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide (CID 829518) is N-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide?
The canonical SMILES for N-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide is CC(=O)NN=Cc1cc(C(C)C)cc(C=NNC(C)=O)c1O.
What is the InChIKey of N-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide?
The InChIKey is KCVJUJSNWAFDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-9(2)12-5-13(7-16-18-10(3)20)15(22)14(6-12)8-17-19-11(4)21/h5-9,22H,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide?
N-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide has a molecular weight of 304.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide is sourced from PubChem (CID 829518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).