(2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide

C13H16N4O2 — CID 129417789

IUPAC(2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCCn1nccn1
InChIInChI=1S/C13H16N4O2/c1-11(19-12-5-3-2-4-6-12)13(18)14-9-10-17-15-7-8-16-17/h2-8,11H,9-10H2,1H3,(H,14,18)/t11-/m0/s1
InChIKeySGWVSXRCFQSXJL-NSHDSACASA-N
MW260.30 g/mol
LogP0.86
Rot. Bonds6

About (2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide

(2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide (PubChem CID 129417789) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide
PubChem CID129417789
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCCn1nccn1
InChIInChI=1S/C13H16N4O2/c1-11(19-12-5-3-2-4-6-12)13(18)14-9-10-17-15-7-8-16-17/h2-8,11H,9-10H2,1H3,(H,14,18)/t11-/m0/s1
InChIKeySGWVSXRCFQSXJL-NSHDSACASA-N
XLogP0.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
2-phenoxy-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]propanamide
CID 126850962
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide
CID 86929905
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387
N-ethyl-2-phenoxypropanamide
CID 4282518
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide
CID 94818590
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide
CID 121119228
N-(6-hydroxyhexyl)-2-phenoxypropanamide
CID 103919352

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide (CID 129417789) is (2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide is C[C@H](Oc1ccccc1)C(=O)NCCn1nccn1.
What is the InChIKey of (2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide?
The InChIKey is SGWVSXRCFQSXJL-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N4O2/c1-11(19-12-5-3-2-4-6-12)13(18)14-9-10-17-15-7-8-16-17/h2-8,11H,9-10H2,1H3,(H,14,18)/t11-/m0/s1.
What are the key properties of (2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide?
(2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide has a molecular weight of 260.30 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 129417789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).