N-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide

C10H20N2O3 — CID 20793029

IUPACN-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide
SMILESCC(C)(C)CCNC(=O)C(=O)NCCO
InChIInChI=1S/C10H20N2O3/c1-10(2,3)4-5-11-8(14)9(15)12-6-7-13/h13H,4-7H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyLUVJQJMHOVHWHW-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.35
Rot. Bonds4

About N-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide

N-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide (PubChem CID 20793029) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide
PubChem CID20793029
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide
SMILESCC(C)(C)CCNC(=O)C(=O)NCCO
InChIInChI=1S/C10H20N2O3/c1-10(2,3)4-5-11-8(14)9(15)12-6-7-13/h13H,4-7H2,1-3H3,(H,11,14)(H,12,15)
InChIKeyLUVJQJMHOVHWHW-UHFFFAOYSA-N
XLogP-0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide?
The IUPAC name of N-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide (CID 20793029) is N-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide is CC(C)(C)CCNC(=O)C(=O)NCCO.
What is the InChIKey of N-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide?
The InChIKey is LUVJQJMHOVHWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)4-5-11-8(14)9(15)12-6-7-13/h13H,4-7H2,1-3H3,(H,11,14)(H,12,15).
What are the key properties of N-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide?
N-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide has a molecular weight of 216.28 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 20793029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).