N-(4,4-dimethylpentyl)-N-hydroxypropanamide

C10H21NO2 — CID 130258071

IUPACN-(4,4-dimethylpentyl)-N-hydroxypropanamide
SMILESCCC(=O)N(O)CCCC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-5-9(12)11(13)8-6-7-10(2,3)4/h13H,5-8H2,1-4H3
InChIKeyHNELUNHPCNCPGL-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.44
Rot. Bonds4

About N-(4,4-dimethylpentyl)-N-hydroxypropanamide

N-(4,4-dimethylpentyl)-N-hydroxypropanamide (PubChem CID 130258071) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-N-hydroxypropanamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-N-hydroxypropanamide
PubChem CID130258071
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(4,4-dimethylpentyl)-N-hydroxypropanamide
SMILESCCC(=O)N(O)CCCC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-5-9(12)11(13)8-6-7-10(2,3)4/h13H,5-8H2,1-4H3
InChIKeyHNELUNHPCNCPGL-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-N-hydroxypropanamide?
The IUPAC name of N-(4,4-dimethylpentyl)-N-hydroxypropanamide (CID 130258071) is N-(4,4-dimethylpentyl)-N-hydroxypropanamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-N-hydroxypropanamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-N-hydroxypropanamide is CCC(=O)N(O)CCCC(C)(C)C.
What is the InChIKey of N-(4,4-dimethylpentyl)-N-hydroxypropanamide?
The InChIKey is HNELUNHPCNCPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-9(12)11(13)8-6-7-10(2,3)4/h13H,5-8H2,1-4H3.
What are the key properties of N-(4,4-dimethylpentyl)-N-hydroxypropanamide?
N-(4,4-dimethylpentyl)-N-hydroxypropanamide has a molecular weight of 187.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-N-hydroxypropanamide is sourced from PubChem (CID 130258071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).