N-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethyl]acetamide

C13H21N3O — CID 110203798

IUPACN-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1ncc(C)n1C1CCCC1
InChIInChI=1S/C13H21N3O/c1-10-9-15-13(7-8-14-11(2)17)16(10)12-5-3-4-6-12/h9,12H,3-8H2,1-2H3,(H,14,17)
InChIKeyQHPIOHNNSBXRAT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.99
Rot. Bonds4

About N-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethyl]acetamide

N-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethyl]acetamide (PubChem CID 110203798) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethyl]acetamide
PubChem CID110203798
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1ncc(C)n1C1CCCC1
InChIInChI=1S/C13H21N3O/c1-10-9-15-13(7-8-14-11(2)17)16(10)12-5-3-4-6-12/h9,12H,3-8H2,1-2H3,(H,14,17)
InChIKeyQHPIOHNNSBXRAT-UHFFFAOYSA-N
XLogP1.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethyl]acetamide (CID 110203798) is N-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethyl]acetamide is CC(=O)NCCc1ncc(C)n1C1CCCC1.
What is the InChIKey of N-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethyl]acetamide?
The InChIKey is QHPIOHNNSBXRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-9-15-13(7-8-14-11(2)17)16(10)12-5-3-4-6-12/h9,12H,3-8H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethyl]acetamide?
N-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethyl]acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopentyl-5-methylimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 110203798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).