N-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide

C17H28N2O2 — CID 151618640

IUPACN-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide
SMILESCC(C)(C)CCC(=O)N(NO)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-16(2,3)11-10-15(20)19(18-21)14-9-7-8-13(12-14)17(4,5)6/h7-9,12,18,21H,10-11H2,1-6H3
InChIKeyQOARPDQWMXTOBT-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.04
Rot. Bonds4

About N-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide

N-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide (PubChem CID 151618640) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide
PubChem CID151618640
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide
SMILESCC(C)(C)CCC(=O)N(NO)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-16(2,3)11-10-15(20)19(18-21)14-9-7-8-13(12-14)17(4,5)6/h7-9,12,18,21H,10-11H2,1-6H3
InChIKeyQOARPDQWMXTOBT-UHFFFAOYSA-N
XLogP4.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(3-tert-butylphenyl)-3-hydroxy-4,4-dimethylpentanoic acid
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1-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)benzene
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N-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide
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alumane;1,3-ditert-butylbenzene
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2-(3-tert-butylanilino)acetamide
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2-(3-tert-butylphenyl)propan-2-yl hydrogen carbonate
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ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
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CID 158213715

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide?
The IUPAC name of N-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide (CID 151618640) is N-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide.
What is the SMILES notation for N-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide?
The canonical SMILES for N-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide is CC(C)(C)CCC(=O)N(NO)c1cccc(C(C)(C)C)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide?
The InChIKey is QOARPDQWMXTOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-16(2,3)11-10-15(20)19(18-21)14-9-7-8-13(12-14)17(4,5)6/h7-9,12,18,21H,10-11H2,1-6H3.
What are the key properties of N-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide?
N-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide has a molecular weight of 292.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-N'-hydroxy-4,4-dimethylpentanehydrazide is sourced from PubChem (CID 151618640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).