2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide

C13H21N3O — CID 4205421

IUPAC2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(CC1CCCC1)NCCCn1ccnc1
InChIInChI=1S/C13H21N3O/c17-13(10-12-4-1-2-5-12)15-6-3-8-16-9-7-14-11-16/h7,9,11-12H,1-6,8,10H2,(H,15,17)
InChIKeyPMWZNHADKVZDMB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.97
Rot. Bonds6

About 2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide

2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 4205421) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID4205421
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide
SMILESO=C(CC1CCCC1)NCCCn1ccnc1
InChIInChI=1S/C13H21N3O/c17-13(10-12-4-1-2-5-12)15-6-3-8-16-9-7-14-11-16/h7,9,11-12H,1-6,8,10H2,(H,15,17)
InChIKeyPMWZNHADKVZDMB-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide (CID 4205421) is 2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide is O=C(CC1CCCC1)NCCCn1ccnc1.
What is the InChIKey of 2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is PMWZNHADKVZDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c17-13(10-12-4-1-2-5-12)15-6-3-8-16-9-7-14-11-16/h7,9,11-12H,1-6,8,10H2,(H,15,17).
What are the key properties of 2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide?
2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 4205421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).