N-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide

C14H24N4O2 — CID 95326337

IUPACN-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
SMILESC[C@@H](NCC(=O)NC1CCOCC1)[C@H](C)n1cccn1
InChIInChI=1S/C14H24N4O2/c1-11(12(2)18-7-3-6-16-18)15-10-14(19)17-13-4-8-20-9-5-13/h3,6-7,11-13,15H,4-5,8-10H2,1-2H3,(H,17,19)/t11-,12+/m1/s1
InChIKeyBWHICAGTQZHYDO-NEPJUHHUSA-N
MW280.37 g/mol
LogP0.72
Rot. Bonds6

About N-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide

N-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide (PubChem CID 95326337) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
PubChem CID95326337
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
SMILESC[C@@H](NCC(=O)NC1CCOCC1)[C@H](C)n1cccn1
InChIInChI=1S/C14H24N4O2/c1-11(12(2)18-7-3-6-16-18)15-10-14(19)17-13-4-8-20-9-5-13/h3,6-7,11-13,15H,4-5,8-10H2,1-2H3,(H,17,19)/t11-,12+/m1/s1
InChIKeyBWHICAGTQZHYDO-NEPJUHHUSA-N
XLogP0.72
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
The IUPAC name of N-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide (CID 95326337) is N-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide is C[C@@H](NCC(=O)NC1CCOCC1)[C@H](C)n1cccn1.
What is the InChIKey of N-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
The InChIKey is BWHICAGTQZHYDO-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(12(2)18-7-3-6-16-18)15-10-14(19)17-13-4-8-20-9-5-13/h3,6-7,11-13,15H,4-5,8-10H2,1-2H3,(H,17,19)/t11-,12+/m1/s1.
What are the key properties of N-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
N-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide has a molecular weight of 280.37 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide is sourced from PubChem (CID 95326337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).