N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide

C16H22N4O3 — CID 829520

IUPACN-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cc(C(C)(C)C)cc(C=NNC(C)=O)c1O
InChIInChI=1S/C16H22N4O3/c1-10(21)19-17-8-12-6-14(16(3,4)5)7-13(15(12)23)9-18-20-11(2)22/h6-9,23H,1-5H3,(H,19,21)(H,20,22)
InChIKeyVDYSZTPFNWFJRJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.63
Rot. Bonds4

About N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide

N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide (PubChem CID 829520) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide
PubChem CID829520
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cc(C(C)(C)C)cc(C=NNC(C)=O)c1O
InChIInChI=1S/C16H22N4O3/c1-10(21)19-17-8-12-6-14(16(3,4)5)7-13(15(12)23)9-18-20-11(2)22/h6-9,23H,1-5H3,(H,19,21)(H,20,22)
InChIKeyVDYSZTPFNWFJRJ-UHFFFAOYSA-N
XLogP1.63
TPSA103.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.63
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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Related Compounds

N-[[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]acetamide
CID 135601217
N-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide
CID 135455074
[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]urea
CID 135824495
ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate
CID 136749406
1-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-3-phenylurea
CID 136690347
N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136934925
4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol
CID 137126547
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide;hydrate
CID 139076968
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
5-tert-butyl-3-[3-[(5-tert-butyl-3-formyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-2-hydroxybenzaldehyde
CID 136866248

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide?
The IUPAC name of N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide (CID 829520) is N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide?
The canonical SMILES for N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide is CC(=O)NN=Cc1cc(C(C)(C)C)cc(C=NNC(C)=O)c1O.
What is the InChIKey of N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide?
The InChIKey is VDYSZTPFNWFJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10(21)19-17-8-12-6-14(16(3,4)5)7-13(15(12)23)9-18-20-11(2)22/h6-9,23H,1-5H3,(H,19,21)(H,20,22).
What are the key properties of N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide?
N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide has a molecular weight of 318.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide is sourced from PubChem (CID 829520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).