2-phenyl-N,2-bis(2,4,6,6-tetramethylpiperidin-2-yl)butanehydrazide

C28H48N4O — CID 23310914

IUPAC2-phenyl-N,2-bis(2,4,6,6-tetramethylpiperidin-2-yl)butanehydrazide
SMILESCCC(C(=O)N(N)C1(C)CC(C)CC(C)(C)N1)(c1ccccc1)C1(C)CC(C)CC(C)(C)N1
InChIInChI=1S/C28H48N4O/c1-10-28(22-14-12-11-13-15-22,26(8)18-20(2)16-24(4,5)30-26)23(33)32(29)27(9)19-21(3)17-25(6,7)31-27/h11-15,20-21,30-31H,10,16-19,29H2,1-9H3
InChIKeyNALPWMIXKWDWCK-UHFFFAOYSA-N
MW456.72 g/mol
LogP5.11
Rot. Bonds5

About 2-phenyl-N,2-bis(2,4,6,6-tetramethylpiperidin-2-yl)butanehydrazide

2-phenyl-N,2-bis(2,4,6,6-tetramethylpiperidin-2-yl)butanehydrazide (PubChem CID 23310914) has the molecular formula C28H48N4O and a molecular weight of 456.72 g/mol. Its IUPAC name is 2-phenyl-N,2-bis(2,4,6,6-tetramethylpiperidin-2-yl)butanehydrazide.

Molecular Properties

Compound Name2-phenyl-N,2-bis(2,4,6,6-tetramethylpiperidin-2-yl)butanehydrazide
PubChem CID23310914
Molecular FormulaC28H48N4O
Molecular Weight456.72 g/mol
Exact Mass456.38
IUPAC Name2-phenyl-N,2-bis(2,4,6,6-tetramethylpiperidin-2-yl)butanehydrazide
SMILESCCC(C(=O)N(N)C1(C)CC(C)CC(C)(C)N1)(c1ccccc1)C1(C)CC(C)CC(C)(C)N1
InChIInChI=1S/C28H48N4O/c1-10-28(22-14-12-11-13-15-22,26(8)18-20(2)16-24(4,5)30-26)23(33)32(29)27(9)19-21(3)17-25(6,7)31-27/h11-15,20-21,30-31H,10,16-19,29H2,1-9H3
InChIKeyNALPWMIXKWDWCK-UHFFFAOYSA-N
XLogP5.11
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.72
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxybenzoic acid;2,2,4,6,6-pentamethylpiperidine
CID 21292179
1-amino-2-methylpropan-2-ol;heptan-4-one;2,2,4,6,6-pentamethylpiperidine
CID 143220672
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
1-[1-[carbamoyl(2-hydroxyethyl)amino]-1-phenylpropyl]-1-(2-hydroxyethyl)urea
CID 173326018
(2-hydroxy-4-methylphenyl)-phenylmethanone;2,2,4,6,6-pentamethylpiperidine
CID 158485685
benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
CID 153383254
2-amino-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 61248466
2-benzyl-2-[bis(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-phenylmethyl]propanedioic acid
CID 70530835
diethyl 2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-phenylpropanedioate
CID 25213167
2-phenylethyl 2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 150487306
N-chloro-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 87619863
(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate
CID 58895597

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N,2-bis(2,4,6,6-tetramethylpiperidin-2-yl)butanehydrazide?
The IUPAC name of 2-phenyl-N,2-bis(2,4,6,6-tetramethylpiperidin-2-yl)butanehydrazide (CID 23310914) is 2-phenyl-N,2-bis(2,4,6,6-tetramethylpiperidin-2-yl)butanehydrazide.
What is the SMILES notation for 2-phenyl-N,2-bis(2,4,6,6-tetramethylpiperidin-2-yl)butanehydrazide?
The canonical SMILES for 2-phenyl-N,2-bis(2,4,6,6-tetramethylpiperidin-2-yl)butanehydrazide is CCC(C(=O)N(N)C1(C)CC(C)CC(C)(C)N1)(c1ccccc1)C1(C)CC(C)CC(C)(C)N1.
What is the InChIKey of 2-phenyl-N,2-bis(2,4,6,6-tetramethylpiperidin-2-yl)butanehydrazide?
The InChIKey is NALPWMIXKWDWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N4O/c1-10-28(22-14-12-11-13-15-22,26(8)18-20(2)16-24(4,5)30-26)23(33)32(29)27(9)19-21(3)17-25(6,7)31-27/h11-15,20-21,30-31H,10,16-19,29H2,1-9H3.
What are the key properties of 2-phenyl-N,2-bis(2,4,6,6-tetramethylpiperidin-2-yl)butanehydrazide?
2-phenyl-N,2-bis(2,4,6,6-tetramethylpiperidin-2-yl)butanehydrazide has a molecular weight of 456.72 g/mol, XLogP of 5.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N,2-bis(2,4,6,6-tetramethylpiperidin-2-yl)butanehydrazide is sourced from PubChem (CID 23310914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).