N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide

C13H26N2O3 — CID 108526209

IUPACN'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCN(CCO)C(=O)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-12(2,3)9-13(4,5)14-10(17)11(18)15(6)7-8-16/h16H,7-9H2,1-6H3,(H,14,17)
InChIKeyKYPQGTUGDLVHHP-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.77
Rot. Bonds4

About N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide

N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide (PubChem CID 108526209) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide.

Molecular Properties

Compound NameN'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide
PubChem CID108526209
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCN(CCO)C(=O)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-12(2,3)9-13(4,5)14-10(17)11(18)15(6)7-8-16/h16H,7-9H2,1-6H3,(H,14,17)
InChIKeyKYPQGTUGDLVHHP-UHFFFAOYSA-N
XLogP0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide
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(S)-2-Amino-N-(2-hydroxyethyl)-3,3-dimethylbutyramide
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N-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide?
The IUPAC name of N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide (CID 108526209) is N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide.
What is the SMILES notation for N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide?
The canonical SMILES for N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide is CN(CCO)C(=O)C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide?
The InChIKey is KYPQGTUGDLVHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(2,3)9-13(4,5)14-10(17)11(18)15(6)7-8-16/h16H,7-9H2,1-6H3,(H,14,17).
What are the key properties of N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide?
N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide has a molecular weight of 258.36 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxyethyl)-N'-methyl-N-(2,4,4-trimethylpentan-2-yl)oxamide is sourced from PubChem (CID 108526209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).