2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide

C12H21N3O2 — CID 116624308

IUPAC2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1ccn(CC)c1=O
InChIInChI=1S/C12H21N3O2/c1-4-10(5-2)13-11(16)9-15-8-7-14(6-3)12(15)17/h7-8,10H,4-6,9H2,1-3H3,(H,13,16)
InChIKeyXEVVQPKKBTZXMH-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.97
Rot. Bonds6

About 2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide

2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide (PubChem CID 116624308) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide
PubChem CID116624308
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1ccn(CC)c1=O
InChIInChI=1S/C12H21N3O2/c1-4-10(5-2)13-11(16)9-15-8-7-14(6-3)12(15)17/h7-8,10H,4-6,9H2,1-3H3,(H,13,16)
InChIKeyXEVVQPKKBTZXMH-UHFFFAOYSA-N
XLogP0.97
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide
CID 62102777
N-(cyclopropylmethyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624363
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138
2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide
CID 116620187
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 114583240
N-(4-bromophenyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624275
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
2-(3,5-diiodo-4-oxo-1-pyridinyl)-N-pentan-3-ylacetamide
CID 47101929
N-(3-methylbutan-2-yl)-2-(3-methyl-2-oxoimidazol-1-yl)acetamide
CID 116624420
2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide
CID 113264415
N-pentan-3-yl-2-[2-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66402553
4-oxo-1-[2-oxo-2-(pentan-3-ylamino)ethyl]pyridine-3-carboxylic acid
CID 114038919

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide (CID 116624308) is 2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1ccn(CC)c1=O.
What is the InChIKey of 2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide?
The InChIKey is XEVVQPKKBTZXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-10(5-2)13-11(16)9-15-8-7-14(6-3)12(15)17/h7-8,10H,4-6,9H2,1-3H3,(H,13,16).
What are the key properties of 2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide?
2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide has a molecular weight of 239.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 116624308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).