N-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide

C15H24N4O2 — CID 164629904

IUPACN-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1cn([C@@H](C)C(=O)C2CC2)nn1
InChIInChI=1S/C15H24N4O2/c1-4-11(5-2)15(21)16-8-13-9-19(18-17-13)10(3)14(20)12-6-7-12/h9-12H,4-8H2,1-3H3,(H,16,21)/t10-/m0/s1
InChIKeyNQOIINYBOGHIFC-JTQLQIEISA-N
MW292.38 g/mol
LogP1.87
Rot. Bonds8

About N-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide

N-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide (PubChem CID 164629904) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide
PubChem CID164629904
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1cn([C@@H](C)C(=O)C2CC2)nn1
InChIInChI=1S/C15H24N4O2/c1-4-11(5-2)15(21)16-8-13-9-19(18-17-13)10(3)14(20)12-6-7-12/h9-12H,4-8H2,1-3H3,(H,16,21)/t10-/m0/s1
InChIKeyNQOIINYBOGHIFC-JTQLQIEISA-N
XLogP1.87
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide?
The IUPAC name of N-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide (CID 164629904) is N-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide?
The canonical SMILES for N-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1cn([C@@H](C)C(=O)C2CC2)nn1.
What is the InChIKey of N-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide?
The InChIKey is NQOIINYBOGHIFC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-11(5-2)15(21)16-8-13-9-19(18-17-13)10(3)14(20)12-6-7-12/h9-12H,4-8H2,1-3H3,(H,16,21)/t10-/m0/s1.
What are the key properties of N-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide?
N-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide has a molecular weight of 292.38 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide is sourced from PubChem (CID 164629904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).