N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide

C18H29N3O3 — CID 21277501

IUPACN-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
SMILESCC(C)(C)c1cc(CCNC(=O)C(=O)NN)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H29N3O3/c1-17(2,3)12-9-11(7-8-20-15(23)16(24)21-19)10-13(14(12)22)18(4,5)6/h9-10,22H,7-8,19H2,1-6H3,(H,20,23)(H,21,24)
InChIKeyMWWGFVJSPLMLEV-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.64
Rot. Bonds3

About N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide

N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide (PubChem CID 21277501) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
PubChem CID21277501
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
SMILESCC(C)(C)c1cc(CCNC(=O)C(=O)NN)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H29N3O3/c1-17(2,3)12-9-11(7-8-20-15(23)16(24)21-19)10-13(14(12)22)18(4,5)6/h9-10,22H,7-8,19H2,1-6H3,(H,20,23)(H,21,24)
InChIKeyMWWGFVJSPLMLEV-UHFFFAOYSA-N
XLogP1.64
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide
CID 21277505
3-[[2-[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]propylamino]-2-oxoacetyl]amino]propyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 21318532
4-(3,5-ditert-butyl-4-hydroxyphenyl)butanehydrazide
CID 139839199
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[8-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]octyl]propanamide
CID 23337168
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
N-[2-[3-tert-butyl-4-hydroxy-5-(3-methylbutan-2-yl)phenyl]ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 134444273
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methane
CID 161430473
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane
CID 175291494
N-[2-(2-aminoethylamino)ethyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 172793531
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanal;hydrazine
CID 158878074
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-methylpropane
CID 143771604

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide (CID 21277501) is N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide is CC(C)(C)c1cc(CCNC(=O)C(=O)NN)cc(C(C)(C)C)c1O.
What is the InChIKey of N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide?
The InChIKey is MWWGFVJSPLMLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-17(2,3)12-9-11(7-8-20-15(23)16(24)21-19)10-13(14(12)22)18(4,5)6/h9-10,22H,7-8,19H2,1-6H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide?
N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide has a molecular weight of 335.45 g/mol, XLogP of 1.64, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 21277501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).