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

C9H15N3O3 — CID 115771425

IUPACN-ethyl-N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCCN(CCCO)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N3O3/c1-2-12(4-3-5-13)8(14)7-6-10-9(15)11-7/h6,13H,2-5H2,1H3,(H2,10,11,15)
InChIKeyPAZYWZFORNVYIV-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.45
Rot. Bonds5

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

N-ethyl-N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 115771425) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID115771425
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCCN(CCCO)C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N3O3/c1-2-12(4-3-5-13)8(14)7-6-10-9(15)11-7/h6,13H,2-5H2,1H3,(H2,10,11,15)
InChIKeyPAZYWZFORNVYIV-UHFFFAOYSA-N
XLogP-0.45
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 115771425) is N-ethyl-N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is CCN(CCCO)C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is PAZYWZFORNVYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-2-12(4-3-5-13)8(14)7-6-10-9(15)11-7/h6,13H,2-5H2,1H3,(H2,10,11,15).
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-ethyl-N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 213.24 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 115771425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).