N-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide

C9H19NO2 — CID 167231846

IUPACN-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide
SMILESCC(=O)N(O)C(C)CC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-7(6-9(3,4)5)10(12)8(2)11/h7,12H,6H2,1-5H3
InChIKeySMTQYJBQOAYPBY-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.05
Rot. Bonds2

About N-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide

N-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide (PubChem CID 167231846) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide
PubChem CID167231846
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide
SMILESCC(=O)N(O)C(C)CC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-7(6-9(3,4)5)10(12)8(2)11/h7,12H,6H2,1-5H3
InChIKeySMTQYJBQOAYPBY-UHFFFAOYSA-N
XLogP2.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide
CID 130757893
acetic acid;2,2,4-trimethylpentane;hydrate
CID 159555520
methyl (2S)-2,4,4-trimethylpentanoate
CID 87851935
N-hydroxyacetamide;2,2,4-trimethylpentane
CID 153344333
N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide
CID 126737316
(2R)-2-amino-3,5,5-trimethylhexanoic acid
CID 175049210
tert-butyl 2,4,4-trimethylpentanoate
CID 89244409
2,3-bis(4,4-dimethylpentan-2-yl)butanedioic acid
CID 151564398
3-tert-butyl-5,5-dimethylhexan-2-one
CID 89376831
[(2R)-1-hydroxy-4,4-dimethylpentan-2-yl] acetate
CID 11805240
(4R)-4-hydroxy-2,6,6-trimethylheptan-3-one
CID 164836555
CID 5484103
CID 5484103

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide?
The IUPAC name of N-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide (CID 167231846) is N-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide.
What is the SMILES notation for N-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide?
The canonical SMILES for N-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide is CC(=O)N(O)C(C)CC(C)(C)C.
What is the InChIKey of N-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide?
The InChIKey is SMTQYJBQOAYPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(6-9(3,4)5)10(12)8(2)11/h7,12H,6H2,1-5H3.
What are the key properties of N-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide?
N-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide has a molecular weight of 173.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentan-2-yl)-N-hydroxyacetamide is sourced from PubChem (CID 167231846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).