N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide

C19H24N4O2 — CID 118786649

IUPACN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide
SMILESCC(NC(=O)CCC(=O)c1ccccc1)c1nncn1C1CCCC1
InChIInChI=1S/C19H24N4O2/c1-14(19-22-20-13-23(19)16-9-5-6-10-16)21-18(25)12-11-17(24)15-7-3-2-4-8-15/h2-4,7-8,13-14,16H,5-6,9-12H2,1H3,(H,21,25)
InChIKeyBLQHTXONBLPCKP-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.23
Rot. Bonds7

About N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide

N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide (PubChem CID 118786649) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide
PubChem CID118786649
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide
SMILESCC(NC(=O)CCC(=O)c1ccccc1)c1nncn1C1CCCC1
InChIInChI=1S/C19H24N4O2/c1-14(19-22-20-13-23(19)16-9-5-6-10-16)21-18(25)12-11-17(24)15-7-3-2-4-8-15/h2-4,7-8,13-14,16H,5-6,9-12H2,1H3,(H,21,25)
InChIKeyBLQHTXONBLPCKP-UHFFFAOYSA-N
XLogP3.23
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide (CID 118786649) is N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide is CC(NC(=O)CCC(=O)c1ccccc1)c1nncn1C1CCCC1.
What is the InChIKey of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide?
The InChIKey is BLQHTXONBLPCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(19-22-20-13-23(19)16-9-5-6-10-16)21-18(25)12-11-17(24)15-7-3-2-4-8-15/h2-4,7-8,13-14,16H,5-6,9-12H2,1H3,(H,21,25).
What are the key properties of N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide?
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide has a molecular weight of 340.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 118786649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).