N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

C13H23N3O5 — CID 115772430

IUPACN-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCOCCN(CCO)C(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C13H23N3O5/c1-14-10-12(19)16(13(14)20)5-3-4-11(18)15(6-8-17)7-9-21-2/h17H,3-10H2,1-2H3
InChIKeyXUUPJMGXECFYKV-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.87
Rot. Bonds9

About N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 115772430) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID115772430
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCOCCN(CCO)C(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C13H23N3O5/c1-14-10-12(19)16(13(14)20)5-3-4-11(18)15(6-8-17)7-9-21-2/h17H,3-10H2,1-2H3
InChIKeyXUUPJMGXECFYKV-UHFFFAOYSA-N
XLogP-0.87
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-propan-2-ylbutanamide
CID 61039174
1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione
CID 106801687
N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide
CID 103915679
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82725201
N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 112729251
N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 55383844
ethyl 3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 43242890
N-(2-hydroxyethyl)-N-(2-methoxyethyl)pent-4-enamide
CID 115772576
3-cyclopentyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 113339851
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902450
N-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 115735166
N-ethyl-4-[5-[3-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxyethyl)butanamide
CID 4756380

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide (CID 115772430) is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is COCCN(CCO)C(=O)CCCN1C(=O)CN(C)C1=O.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is XUUPJMGXECFYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-14-10-12(19)16(13(14)20)5-3-4-11(18)15(6-8-17)7-9-21-2/h17H,3-10H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide?
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 301.34 g/mol, XLogP of -0.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 115772430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).