2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide

C11H17N3O — CID 86798642

IUPAC2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide
SMILESCn1cncc1CCNC(=O)CC1CC1
InChIInChI=1S/C11H17N3O/c1-14-8-12-7-10(14)4-5-13-11(15)6-9-2-3-9/h7-9H,2-6H2,1H3,(H,13,15)
InChIKeyXJMBKSCWXBENGF-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.88
Rot. Bonds5

About 2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide

2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide (PubChem CID 86798642) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide
PubChem CID86798642
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide
SMILESCn1cncc1CCNC(=O)CC1CC1
InChIInChI=1S/C11H17N3O/c1-14-8-12-7-10(14)4-5-13-11(15)6-9-2-3-9/h7-9H,2-6H2,1H3,(H,13,15)
InChIKeyXJMBKSCWXBENGF-UHFFFAOYSA-N
XLogP0.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide (CID 86798642) is 2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide is Cn1cncc1CCNC(=O)CC1CC1.
What is the InChIKey of 2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide?
The InChIKey is XJMBKSCWXBENGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-8-12-7-10(14)4-5-13-11(15)6-9-2-3-9/h7-9H,2-6H2,1H3,(H,13,15).
What are the key properties of 2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide?
2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide has a molecular weight of 207.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 86798642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).