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

C20H33N3O3 — CID 21277505

IUPACN-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide
SMILESCC(C)(C)c1cc(CCCCNC(=O)C(=O)NN)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H33N3O3/c1-19(2,3)14-11-13(12-15(16(14)24)20(4,5)6)9-7-8-10-22-17(25)18(26)23-21/h11-12,24H,7-10,21H2,1-6H3,(H,22,25)(H,23,26)
InChIKeyGQPHHADPNMWKRL-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.42
Rot. Bonds5

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

N-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide (PubChem CID 21277505) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide
PubChem CID21277505
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC NameN-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide
SMILESCC(C)(C)c1cc(CCCCNC(=O)C(=O)NN)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H33N3O3/c1-19(2,3)14-11-13(12-15(16(14)24)20(4,5)6)9-7-8-10-22-17(25)18(26)23-21/h11-12,24H,7-10,21H2,1-6H3,(H,22,25)(H,23,26)
InChIKeyGQPHHADPNMWKRL-UHFFFAOYSA-N
XLogP2.42
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 21277501
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
4-(4-aminobutyl)-2,6-ditert-butylphenol
CID 10516679
(3,5-ditert-butyl-4-hydroxyphenyl)methyl N-[6-[(3,5-ditert-butyl-4-hydroxyphenyl)methoxycarbonylamino]hexyl]carbamate
CID 100920458
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(6-hydroxyhexyl)propanamide
CID 21199521
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-hexylpropanamide
CID 19991674
[3-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butanoyloxy]-2,2-bis[4-(3,5-ditert-butyl-4-hydroxyphenyl)butanoyloxymethyl]propyl] 4-(3,5-ditert-butyl-4-hydroxyphenyl)butanoate
CID 19968743
2-[3-tert-butyl-2-hydroxy-5-(3-oxopropyl)phenyl]-N-[6-[[2-[3-tert-butyl-2-hydroxy-5-(3-oxopropyl)phenyl]-2-methylpropanoyl]amino]hexyl]-2-methylpropanamide
CID 88842706
4-butyl-2,6-ditert-butylphenol
CID 158079570
3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl 3-[2-[[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propoxy]-4-oxobut-2-en-2-yl]amino]ethylamino]but-2-enoate
CID 3542611

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide (CID 21277505) is N-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide is CC(C)(C)c1cc(CCCCNC(=O)C(=O)NN)cc(C(C)(C)C)c1O.
What is the InChIKey of N-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide?
The InChIKey is GQPHHADPNMWKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-19(2,3)14-11-13(12-15(16(14)24)20(4,5)6)9-7-8-10-22-17(25)18(26)23-21/h11-12,24H,7-10,21H2,1-6H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide?
N-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide has a molecular weight of 363.50 g/mol, XLogP of 2.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 21277505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).