(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide

C20H22N4O2 — CID 124938567

IUPAC(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide
SMILESC[C@H](C(=O)NCCc1ccccc1)n1cc(COc2ccccc2)nn1
InChIInChI=1S/C20H22N4O2/c1-16(20(25)21-13-12-17-8-4-2-5-9-17)24-14-18(22-23-24)15-26-19-10-6-3-7-11-19/h2-11,14,16H,12-13,15H2,1H3,(H,21,25)/t16-/m1/s1
InChIKeyXAXYSQWWGZBDSF-MRXNPFEDSA-N
MW350.42 g/mol
LogP2.78
Rot. Bonds8

About (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide

(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide (PubChem CID 124938567) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide
PubChem CID124938567
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide
SMILESC[C@H](C(=O)NCCc1ccccc1)n1cc(COc2ccccc2)nn1
InChIInChI=1S/C20H22N4O2/c1-16(20(25)21-13-12-17-8-4-2-5-9-17)24-14-18(22-23-24)15-26-19-10-6-3-7-11-19/h2-11,14,16H,12-13,15H2,1H3,(H,21,25)/t16-/m1/s1
InChIKeyXAXYSQWWGZBDSF-MRXNPFEDSA-N
XLogP2.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-(phenoxymethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 124938453
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide
CID 124938277
(2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938273
(2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938361
(2R)-1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(phenoxymethyl)triazol-1-yl]propan-1-one
CID 124938551
(2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938174
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 124938470
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide
CID 100831239
N-(2-phenylethyl)-2-pyrrol-1-ylpropanamide
CID 17086628
2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide
CID 62400159
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 62399584
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide?
The IUPAC name of (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide (CID 124938567) is (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide is C[C@H](C(=O)NCCc1ccccc1)n1cc(COc2ccccc2)nn1.
What is the InChIKey of (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide?
The InChIKey is XAXYSQWWGZBDSF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-16(20(25)21-13-12-17-8-4-2-5-9-17)24-14-18(22-23-24)15-26-19-10-6-3-7-11-19/h2-11,14,16H,12-13,15H2,1H3,(H,21,25)/t16-/m1/s1.
What are the key properties of (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide?
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 124938567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).