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

C15H20N4O3 — CID 135455074

IUPACN-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cc(C(C)C)cc(/C=N/NC(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)/b16-7+,17-8+
InChIKeyKCVJUJSNWAFDGU-GDWCLCACSA-N
MW304.35 g/mol
LogP1.46
Rot. Bonds5

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

N-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide (PubChem CID 135455074) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide
PubChem CID135455074
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C/c1cc(C(C)C)cc(/C=N/NC(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)/b16-7+,17-8+
InChIKeyKCVJUJSNWAFDGU-GDWCLCACSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide
CID 135601217
N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide
CID 829520
[(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea
CID 168534816
N-[(E)-(3-fluoro-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]methanesulfonamide
CID 170687992
[(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea
CID 121013846
cobalt(2+);2-ethyl-6-[2-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-4-propan-2-ylphenol;diacetate
CID 161219706
N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 137023077
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
2-chloro-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
CID 169382336
2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
CID 169382296
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 135684588

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide?
The IUPAC name of N-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide (CID 135455074) is N-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide?
The canonical SMILES for N-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide is CC(=O)N/N=C/c1cc(C(C)C)cc(/C=N/NC(C)=O)c1O.
What is the InChIKey of N-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide?
The InChIKey is KCVJUJSNWAFDGU-GDWCLCACSA-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)/b16-7+,17-8+.
What are the key properties of N-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide?
N-[(E)-[3-[(E)-(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-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide is sourced from PubChem (CID 135455074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).