N,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide

C12H21N3O2 — CID 116625062

IUPACN,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
SMILESCCN(CC)C(=O)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C12H21N3O2/c1-5-13(6-2)11(16)9-14-7-8-15(10(3)4)12(14)17/h7-8,10H,5-6,9H2,1-4H3
InChIKeySWEPURXYEDJHDG-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.10
Rot. Bonds5

About N,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide

N,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide (PubChem CID 116625062) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
PubChem CID116625062
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide
SMILESCCN(CC)C(=O)Cn1ccn(C(C)C)c1=O
InChIInChI=1S/C12H21N3O2/c1-5-13(6-2)11(16)9-14-7-8-15(10(3)4)12(14)17/h7-8,10H,5-6,9H2,1-4H3
InChIKeySWEPURXYEDJHDG-UHFFFAOYSA-N
XLogP1.10
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide (CID 116625062) is N,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide is CCN(CC)C(=O)Cn1ccn(C(C)C)c1=O.
What is the InChIKey of N,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide?
The InChIKey is SWEPURXYEDJHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-13(6-2)11(16)9-14-7-8-15(10(3)4)12(14)17/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of N,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide?
N,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide has a molecular weight of 239.32 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-oxo-3-propan-2-ylimidazol-1-yl)acetamide is sourced from PubChem (CID 116625062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).