2-tert-butyl-5-(hydrazinecarbonyl)-4,4,7,7-tetramethyloctanamide

C17H35N3O2 — CID 58816967

IUPAC2-tert-butyl-5-(hydrazinecarbonyl)-4,4,7,7-tetramethyloctanamide
SMILESCC(C)(C)CC(C(=O)NN)C(C)(C)CC(C(N)=O)C(C)(C)C
InChIInChI=1S/C17H35N3O2/c1-15(2,3)9-12(14(22)20-19)17(7,8)10-11(13(18)21)16(4,5)6/h11-12H,9-10,19H2,1-8H3,(H2,18,21)(H,20,22)
InChIKeyWVDBCKQBRZPYAI-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.59
Rot. Bonds6

About 2-tert-butyl-5-(hydrazinecarbonyl)-4,4,7,7-tetramethyloctanamide

2-tert-butyl-5-(hydrazinecarbonyl)-4,4,7,7-tetramethyloctanamide (PubChem CID 58816967) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 2-tert-butyl-5-(hydrazinecarbonyl)-4,4,7,7-tetramethyloctanamide.

Molecular Properties

Compound Name2-tert-butyl-5-(hydrazinecarbonyl)-4,4,7,7-tetramethyloctanamide
PubChem CID58816967
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Name2-tert-butyl-5-(hydrazinecarbonyl)-4,4,7,7-tetramethyloctanamide
SMILESCC(C)(C)CC(C(=O)NN)C(C)(C)CC(C(N)=O)C(C)(C)C
InChIInChI=1S/C17H35N3O2/c1-15(2,3)9-12(14(22)20-19)17(7,8)10-11(13(18)21)16(4,5)6/h11-12H,9-10,19H2,1-8H3,(H2,18,21)(H,20,22)
InChIKeyWVDBCKQBRZPYAI-UHFFFAOYSA-N
XLogP2.59
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(hydrazinecarbonyl)-4,4,7,7-tetramethyloctanamide?
The IUPAC name of 2-tert-butyl-5-(hydrazinecarbonyl)-4,4,7,7-tetramethyloctanamide (CID 58816967) is 2-tert-butyl-5-(hydrazinecarbonyl)-4,4,7,7-tetramethyloctanamide.
What is the SMILES notation for 2-tert-butyl-5-(hydrazinecarbonyl)-4,4,7,7-tetramethyloctanamide?
The canonical SMILES for 2-tert-butyl-5-(hydrazinecarbonyl)-4,4,7,7-tetramethyloctanamide is CC(C)(C)CC(C(=O)NN)C(C)(C)CC(C(N)=O)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-(hydrazinecarbonyl)-4,4,7,7-tetramethyloctanamide?
The InChIKey is WVDBCKQBRZPYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-15(2,3)9-12(14(22)20-19)17(7,8)10-11(13(18)21)16(4,5)6/h11-12H,9-10,19H2,1-8H3,(H2,18,21)(H,20,22).
What are the key properties of 2-tert-butyl-5-(hydrazinecarbonyl)-4,4,7,7-tetramethyloctanamide?
2-tert-butyl-5-(hydrazinecarbonyl)-4,4,7,7-tetramethyloctanamide has a molecular weight of 313.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(hydrazinecarbonyl)-4,4,7,7-tetramethyloctanamide is sourced from PubChem (CID 58816967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).