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

C14H28N2O3 — CID 108525120

IUPACN'-ethyl-N'-(2-hydroxyethyl)-N-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCCN(CCO)C(=O)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-7-16(8-9-17)12(19)11(18)15-14(5,6)10-13(2,3)4/h17H,7-10H2,1-6H3,(H,15,18)
InChIKeyCPEFEDBAHQVZGZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.16
Rot. Bonds5

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

N'-ethyl-N'-(2-hydroxyethyl)-N-(2,4,4-trimethylpentan-2-yl)oxamide (PubChem CID 108525120) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N'-ethyl-N'-(2-hydroxyethyl)-N-(2,4,4-trimethylpentan-2-yl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N'-(2-hydroxyethyl)-N-(2,4,4-trimethylpentan-2-yl)oxamide
PubChem CID108525120
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN'-ethyl-N'-(2-hydroxyethyl)-N-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCCN(CCO)C(=O)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-7-16(8-9-17)12(19)11(18)15-14(5,6)10-13(2,3)4/h17H,7-10H2,1-6H3,(H,15,18)
InChIKeyCPEFEDBAHQVZGZ-UHFFFAOYSA-N
XLogP1.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.16
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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4-(2-Hydroxyethyl)-7,7-dimethyl-1,4-diazepan-2-one
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N-(3,3-dimethylbutyl)-N'-(2-hydroxyethyl)oxamide
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2-amino-2-ethyl-N-(2-hydroxyethyl)butanamide
CID 79809671
(S)-2-Amino-N-(2-hydroxyethyl)-3,3-dimethylbutyramide
CID 82238044
N-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide
CID 118669232
N-(2-hydroxyethyl)-2-methyl-2-[methyl(propanoyl)amino]propanamide
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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-hydroxyethyl)-N-(2,4,4-trimethylpentan-2-yl)oxamide?
The IUPAC name of N'-ethyl-N'-(2-hydroxyethyl)-N-(2,4,4-trimethylpentan-2-yl)oxamide (CID 108525120) is N'-ethyl-N'-(2-hydroxyethyl)-N-(2,4,4-trimethylpentan-2-yl)oxamide.
What is the SMILES notation for N'-ethyl-N'-(2-hydroxyethyl)-N-(2,4,4-trimethylpentan-2-yl)oxamide?
The canonical SMILES for N'-ethyl-N'-(2-hydroxyethyl)-N-(2,4,4-trimethylpentan-2-yl)oxamide is CCN(CCO)C(=O)C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of N'-ethyl-N'-(2-hydroxyethyl)-N-(2,4,4-trimethylpentan-2-yl)oxamide?
The InChIKey is CPEFEDBAHQVZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-7-16(8-9-17)12(19)11(18)15-14(5,6)10-13(2,3)4/h17H,7-10H2,1-6H3,(H,15,18).
What are the key properties of N'-ethyl-N'-(2-hydroxyethyl)-N-(2,4,4-trimethylpentan-2-yl)oxamide?
N'-ethyl-N'-(2-hydroxyethyl)-N-(2,4,4-trimethylpentan-2-yl)oxamide has a molecular weight of 272.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-hydroxyethyl)-N-(2,4,4-trimethylpentan-2-yl)oxamide is sourced from PubChem (CID 108525120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).