N-butyl-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide

C12H19N3O2 — CID 116625281

IUPACN-butyl-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
SMILESCCCCNC(=O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-2-3-6-13-11(16)9-14-7-8-15(12(14)17)10-4-5-10/h7-8,10H,2-6,9H2,1H3,(H,13,16)
InChIKeyMSGXVXBMIVRQOQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.90
Rot. Bonds6

About N-butyl-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide

N-butyl-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide (PubChem CID 116625281) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-butyl-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
PubChem CID116625281
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-butyl-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide
SMILESCCCCNC(=O)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-2-3-6-13-11(16)9-14-7-8-15(12(14)17)10-4-5-10/h7-8,10H,2-6,9H2,1H3,(H,13,16)
InChIKeyMSGXVXBMIVRQOQ-UHFFFAOYSA-N
XLogP0.90
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide?
The IUPAC name of N-butyl-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide (CID 116625281) is N-butyl-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide is CCCCNC(=O)Cn1ccn(C2CC2)c1=O.
What is the InChIKey of N-butyl-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide?
The InChIKey is MSGXVXBMIVRQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-3-6-13-11(16)9-14-7-8-15(12(14)17)10-4-5-10/h7-8,10H,2-6,9H2,1H3,(H,13,16).
What are the key properties of N-butyl-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide?
N-butyl-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-cyclopropyl-2-oxoimidazol-1-yl)acetamide is sourced from PubChem (CID 116625281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).