3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide

C13H21N3O — CID 47020069

IUPAC3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
SMILESO=C(CCC1CCCC1)NCCn1ccnc1
InChIInChI=1S/C13H21N3O/c17-13(6-5-12-3-1-2-4-12)15-8-10-16-9-7-14-11-16/h7,9,11-12H,1-6,8,10H2,(H,15,17)
InChIKeyNABDOKAONZSWFS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.97
Rot. Bonds6

About 3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide

3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide (PubChem CID 47020069) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
PubChem CID47020069
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
SMILESO=C(CCC1CCCC1)NCCn1ccnc1
InChIInChI=1S/C13H21N3O/c17-13(6-5-12-3-1-2-4-12)15-8-10-16-9-7-14-11-16/h7,9,11-12H,1-6,8,10H2,(H,15,17)
InChIKeyNABDOKAONZSWFS-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

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Related Compounds

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6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid
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1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine
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6-cyclohexyl-1-imidazol-1-ylhexan-2-one
CID 57292403
N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide
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N-(4-imidazol-1-ylbutyl)-2-piperidin-3-ylacetamide
CID 62691425
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
CID 60724975
3-amino-N-(2-imidazol-1-ylethyl)-3-sulfanylidenepropanamide
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CID 90492630

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide (CID 47020069) is 3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide is O=C(CCC1CCCC1)NCCn1ccnc1.
What is the InChIKey of 3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide?
The InChIKey is NABDOKAONZSWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c17-13(6-5-12-3-1-2-4-12)15-8-10-16-9-7-14-11-16/h7,9,11-12H,1-6,8,10H2,(H,15,17).
What are the key properties of 3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide?
3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide 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 3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide is sourced from PubChem (CID 47020069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).