N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-dihydroimidazole-4-carboxamide

C11H19N3O3 — CID 54994622

IUPACN-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-dihydroimidazole-4-carboxamide
SMILESCCC(CC)N(CCO)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H19N3O3/c1-3-8(4-2)14(5-6-15)10(16)9-7-12-11(17)13-9/h7-8,15H,3-6H2,1-2H3,(H2,12,13,17)
InChIKeyWIXVLCNKUKHZHF-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.33
Rot. Bonds6

About N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-dihydroimidazole-4-carboxamide

N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-dihydroimidazole-4-carboxamide (PubChem CID 54994622) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-dihydroimidazole-4-carboxamide
PubChem CID54994622
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-dihydroimidazole-4-carboxamide
SMILESCCC(CC)N(CCO)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H19N3O3/c1-3-8(4-2)14(5-6-15)10(16)9-7-12-11(17)13-9/h7-8,15H,3-6H2,1-2H3,(H2,12,13,17)
InChIKeyWIXVLCNKUKHZHF-UHFFFAOYSA-N
XLogP0.33
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-dihydroimidazole-4-carboxamide (CID 54994622) is N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-dihydroimidazole-4-carboxamide is CCC(CC)N(CCO)C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is WIXVLCNKUKHZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-8(4-2)14(5-6-15)10(16)9-7-12-11(17)13-9/h7-8,15H,3-6H2,1-2H3,(H2,12,13,17).
What are the key properties of N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-dihydroimidazole-4-carboxamide?
N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-oxo-N-pentan-3-yl-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 54994622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).