N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(4-nitroimidazol-1-yl)propanamide

C11H18N4O5 — CID 115902382

IUPACN-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(4-nitroimidazol-1-yl)propanamide
SMILESCOCCN(CCO)C(=O)CCn1cnc([N+](=O)[O-])c1
InChIInChI=1S/C11H18N4O5/c1-20-7-5-14(4-6-16)11(17)2-3-13-8-10(12-9-13)15(18)19/h8-9,16H,2-7H2,1H3
InChIKeyRIPSYMDXZGKOKX-UHFFFAOYSA-N
MW286.29 g/mol
LogP-0.35
Rot. Bonds9

About N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(4-nitroimidazol-1-yl)propanamide

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(4-nitroimidazol-1-yl)propanamide (PubChem CID 115902382) has the molecular formula C11H18N4O5 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(4-nitroimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(4-nitroimidazol-1-yl)propanamide
PubChem CID115902382
Molecular FormulaC11H18N4O5
Molecular Weight286.29 g/mol
Exact Mass286.13
IUPAC NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(4-nitroimidazol-1-yl)propanamide
SMILESCOCCN(CCO)C(=O)CCn1cnc([N+](=O)[O-])c1
InChIInChI=1S/C11H18N4O5/c1-20-7-5-14(4-6-16)11(17)2-3-13-8-10(12-9-13)15(18)19/h8-9,16H,2-7H2,1H3
InChIKeyRIPSYMDXZGKOKX-UHFFFAOYSA-N
XLogP-0.35
TPSA110.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Morinidazole
CID 11644726
(1-Methyl-5-nitroimidazol-2-yl)-morpholin-4-ylmethanone
CID 125474981
7-(2-Hydroxyethyl)-6-methyl-2-nitroimidazo[1,2-a]pyrazin-8-one
CID 155563978
1-(2,4-Dinitroimidazol-1-yl)propan-2-ol
CID 468941
N-(2-hydroxyethyl)-N-methyl-2-(2-nitroimidazol-1-yl)acetamide
CID 10220197
Morinidazole (R enantiomer)
CID 92044393
Imidazole1nndimethylcarbamoylethyl2methyl5nitro
CID 23274581
2-(2-Methoxy-5-nitro-1H-imidazol-1-yl)ethanol
CID 25232532
1-(4-Ethylpiperazin-1-yl)-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
CID 134130541
1-(4-Ethylpiperazin-1-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propan-2-ol
CID 134130900
Ethyl 4-[2-hydroxy-3-(2-methyl-5-nitroimidazol-1-yl)propyl]piperazine-1-carboxylate
CID 134131516
7-(2-Hydroxyethyl)-2-nitroimidazo[1,2-a]pyrazin-8-one
CID 155568858

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(4-nitroimidazol-1-yl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(4-nitroimidazol-1-yl)propanamide (CID 115902382) is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(4-nitroimidazol-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(4-nitroimidazol-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(4-nitroimidazol-1-yl)propanamide is COCCN(CCO)C(=O)CCn1cnc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(4-nitroimidazol-1-yl)propanamide?
The InChIKey is RIPSYMDXZGKOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O5/c1-20-7-5-14(4-6-16)11(17)2-3-13-8-10(12-9-13)15(18)19/h8-9,16H,2-7H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(4-nitroimidazol-1-yl)propanamide?
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(4-nitroimidazol-1-yl)propanamide has a molecular weight of 286.29 g/mol, XLogP of -0.35, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(4-nitroimidazol-1-yl)propanamide is sourced from PubChem (CID 115902382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).