N-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide

C21H39N5O4 — CID 19021259

IUPACN-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide
SMILESCCCCN(CCCC)C(=O)C(=O)N1C(C)(C)CC(NC(=O)C(=O)NN)CC1(C)C
InChIInChI=1S/C21H39N5O4/c1-7-9-11-25(12-10-8-2)18(29)19(30)26-20(3,4)13-15(14-21(26,5)6)23-16(27)17(28)24-22/h15H,7-14,22H2,1-6H3,(H,23,27)(H,24,28)
InChIKeyRMVLPDYLMUKSMN-UHFFFAOYSA-N
MW425.57 g/mol
LogP1.07
Rot. Bonds7

About N-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide

N-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide (PubChem CID 19021259) has the molecular formula C21H39N5O4 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide
PubChem CID19021259
Molecular FormulaC21H39N5O4
Molecular Weight425.57 g/mol
Exact Mass425.30
IUPAC NameN-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide
SMILESCCCCN(CCCC)C(=O)C(=O)N1C(C)(C)CC(NC(=O)C(=O)NN)CC1(C)C
InChIInChI=1S/C21H39N5O4/c1-7-9-11-25(12-10-8-2)18(29)19(30)26-20(3,4)13-15(14-21(26,5)6)23-16(27)17(28)24-22/h15H,7-14,22H2,1-6H3,(H,23,27)(H,24,28)
InChIKeyRMVLPDYLMUKSMN-UHFFFAOYSA-N
XLogP1.07
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide (CID 19021259) is N-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide is CCCCN(CCCC)C(=O)C(=O)N1C(C)(C)CC(NC(=O)C(=O)NN)CC1(C)C.
What is the InChIKey of N-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide?
The InChIKey is RMVLPDYLMUKSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N5O4/c1-7-9-11-25(12-10-8-2)18(29)19(30)26-20(3,4)13-15(14-21(26,5)6)23-16(27)17(28)24-22/h15H,7-14,22H2,1-6H3,(H,23,27)(H,24,28).
What are the key properties of N-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide?
N-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide has a molecular weight of 425.57 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dibutylamino)-2-oxoacetyl]-2,2,6,6-tetramethylpiperidin-4-yl]-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 19021259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).