N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propan-2-yloxyacetamide

C15H24N4O3 — CID 91764439

IUPACN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C15H24N4O3/c1-9(2)22-8-14(21)16-11-5-10(6-11)15-18-17-13(7-20)19(15)12-3-4-12/h9-12,20H,3-8H2,1-2H3,(H,16,21)
InChIKeyGIXQWYDMCXVBQP-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.89
Rot. Bonds7

About N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propan-2-yloxyacetamide

N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propan-2-yloxyacetamide (PubChem CID 91764439) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propan-2-yloxyacetamide
PubChem CID91764439
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C15H24N4O3/c1-9(2)22-8-14(21)16-11-5-10(6-11)15-18-17-13(7-20)19(15)12-3-4-12/h9-12,20H,3-8H2,1-2H3,(H,16,21)
InChIKeyGIXQWYDMCXVBQP-UHFFFAOYSA-N
XLogP0.89
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-N'-{cis-3-[4-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}urea
CID 91762111
N-{cis-3-[4-ethyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-morpholin-4-ylacetamide
CID 91785428
N-{trans-3-[5-(hydroxymethyl)-4-methyl-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 91769826
N-[(5-Cyclobutyl-4-methyl-1,2,4-triazol-3-YL)methyl]-2-ethoxypropanamide
CID 86792831
N-{trans-3-[4-ethyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-1-methylcyclopropanecarboxamide
CID 91761447
N-cyclopentyl-N'-{cis-3-[5-(hydroxymethyl)-4-methyl-4H-1,2,4-triazol-3-yl]cyclobutyl}urea
CID 91761533
N-{trans-3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-1-methylpiperidine-4-carboxamide
CID 91763520
N-{trans-3-[4-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-3-morpholin-4-ylpropanamide
CID 91764177
N-{cis-3-[5-(hydroxymethyl)-4-methyl-4H-1,2,4-triazol-3-yl]cyclobutyl}-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 91764774
N-{cis-3-[4-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-ethoxyacetamide
CID 91765569
4-hydroxy-N-{trans-3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-1-methylpiperidine-4-carboxamide
CID 91767212
(2S)-N-{trans-3-[4-ethyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-hydroxypropanamide
CID 91769979

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propan-2-yloxyacetamide (CID 91764439) is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NC1CC(c2nnc(CO)n2C2CC2)C1.
What is the InChIKey of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propan-2-yloxyacetamide?
The InChIKey is GIXQWYDMCXVBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-9(2)22-8-14(21)16-11-5-10(6-11)15-18-17-13(7-20)19(15)12-3-4-12/h9-12,20H,3-8H2,1-2H3,(H,16,21).
What are the key properties of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propan-2-yloxyacetamide?
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propan-2-yloxyacetamide has a molecular weight of 308.38 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 91764439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).