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

C8H13N3O3 — CID 60957797

IUPACN-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H13N3O3/c1-2-11(3-4-12)7(13)6-5-9-8(14)10-6/h5,12H,2-4H2,1H3,(H2,9,10,14)
InChIKeyGMMXNKWYJKLSOM-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.84
Rot. Bonds4

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

N-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 60957797) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID60957797
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H13N3O3/c1-2-11(3-4-12)7(13)6-5-9-8(14)10-6/h5,12H,2-4H2,1H3,(H2,9,10,14)
InChIKeyGMMXNKWYJKLSOM-UHFFFAOYSA-N
XLogP-0.84
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 60957797) is N-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is CCN(CCO)C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is GMMXNKWYJKLSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-11(3-4-12)7(13)6-5-9-8(14)10-6/h5,12H,2-4H2,1H3,(H2,9,10,14).
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 199.21 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 60957797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).