N-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide

C9H15N3O2 — CID 116624442

IUPACN-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
SMILESCCNC(=O)CCn1ccn(C)c1=O
InChIInChI=1S/C9H15N3O2/c1-3-10-8(13)4-5-12-7-6-11(2)9(12)14/h6-7H,3-5H2,1-2H3,(H,10,13)
InChIKeyGTNOIZIQYFHWDT-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.29
Rot. Bonds4

About N-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide

N-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide (PubChem CID 116624442) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
PubChem CID116624442
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
SMILESCCNC(=O)CCn1ccn(C)c1=O
InChIInChI=1S/C9H15N3O2/c1-3-10-8(13)4-5-12-7-6-11(2)9(12)14/h6-7H,3-5H2,1-2H3,(H,10,13)
InChIKeyGTNOIZIQYFHWDT-UHFFFAOYSA-N
XLogP-0.29
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide?
The IUPAC name of N-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide (CID 116624442) is N-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide?
The canonical SMILES for N-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide is CCNC(=O)CCn1ccn(C)c1=O.
What is the InChIKey of N-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide?
The InChIKey is GTNOIZIQYFHWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-10-8(13)4-5-12-7-6-11(2)9(12)14/h6-7H,3-5H2,1-2H3,(H,10,13).
What are the key properties of N-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide?
N-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide has a molecular weight of 197.24 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methyl-2-oxoimidazol-1-yl)propanamide is sourced from PubChem (CID 116624442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).