N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide

C10H22N2O4 — CID 58881510

IUPACN-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide
SMILESCC(C)(CCONCCO)C(=O)NCCO
InChIInChI=1S/C10H22N2O4/c1-10(2,9(15)11-4-6-13)3-8-16-12-5-7-14/h12-14H,3-8H2,1-2H3,(H,11,15)
InChIKeyFEEMEYVSFIYLSD-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.98
Rot. Bonds9

About N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide

N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide (PubChem CID 58881510) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide
PubChem CID58881510
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC NameN-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide
SMILESCC(C)(CCONCCO)C(=O)NCCO
InChIInChI=1S/C10H22N2O4/c1-10(2,9(15)11-4-6-13)3-8-16-12-5-7-14/h12-14H,3-8H2,1-2H3,(H,11,15)
InChIKeyFEEMEYVSFIYLSD-UHFFFAOYSA-N
XLogP-0.98
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
CID 176553127
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide
CID 166130930
2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide
CID 21330073
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide
CID 134337619
N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide
CID 134174558
N-(2-hydroxyethyl)-2,2-dimethyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide
CID 67160592
2-amino-N-(2-hydroxyethyl)-2-methylpentanamide
CID 60847863
2,2-dimethyl-3-propoxy-N-propylpropanamide
CID 164771846
4-(dimethylamino)-N-(2-methoxyethyl)-2,2-dimethylbutanamide
CID 166075571
phosphoric acid;2-(propoxyamino)ethanol
CID 174665335

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide (CID 58881510) is N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide is CC(C)(CCONCCO)C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide?
The InChIKey is FEEMEYVSFIYLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4/c1-10(2,9(15)11-4-6-13)3-8-16-12-5-7-14/h12-14H,3-8H2,1-2H3,(H,11,15).
What are the key properties of N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide?
N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide has a molecular weight of 234.30 g/mol, XLogP of -0.98, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide is sourced from PubChem (CID 58881510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).