N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide

C13H26N2O3 — CID 108505035

IUPACN-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide
SMILESCOCCNC(=O)C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C13H26N2O3/c1-10(2)8-15(9-11(3)4)13(17)12(16)14-6-7-18-5/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyITSKISJAZXFLLL-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.89
Rot. Bonds7

About N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide

N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide (PubChem CID 108505035) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide
PubChem CID108505035
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide
SMILESCOCCNC(=O)C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C13H26N2O3/c1-10(2)8-15(9-11(3)4)13(17)12(16)14-6-7-18-5/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyITSKISJAZXFLLL-UHFFFAOYSA-N
XLogP0.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide
CID 108529511
N',N'-dibutyl-N-(2-methoxyethyl)oxamide
CID 108504989
3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea
CID 60546714
N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
N-ethyl-2-(2-methoxyethylamino)-N-(2-methylpropyl)acetamide;hydrochloride
CID 119732327
N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide
CID 43316288
2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid
CID 79281112
1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea
CID 19652189
3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea
CID 97025387
N'-butyl-N-(2-methoxyethyl)-N'-methyloxamide
CID 108505015
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
N-(2-methoxyethyl)-2-oxobutanamide
CID 141125375

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide?
The IUPAC name of N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide (CID 108505035) is N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide?
The canonical SMILES for N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide is COCCNC(=O)C(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide?
The InChIKey is ITSKISJAZXFLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(2)8-15(9-11(3)4)13(17)12(16)14-6-7-18-5/h10-11H,6-9H2,1-5H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide?
N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide has a molecular weight of 258.36 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide is sourced from PubChem (CID 108505035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).