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

C18H18N4O2 — CID 124938277

IUPAC(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide
SMILESC[C@H](C(=O)Nc1ccccc1)n1cc(COc2ccccc2)nn1
InChIInChI=1S/C18H18N4O2/c1-14(18(23)19-15-8-4-2-5-9-15)22-12-16(20-21-22)13-24-17-10-6-3-7-11-17/h2-12,14H,13H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyJBVLRONKJPJJSM-CQSZACIVSA-N
MW322.37 g/mol
LogP3.06
Rot. Bonds6

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

(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide (PubChem CID 124938277) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide
PubChem CID124938277
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide
SMILESC[C@H](C(=O)Nc1ccccc1)n1cc(COc2ccccc2)nn1
InChIInChI=1S/C18H18N4O2/c1-14(18(23)19-15-8-4-2-5-9-15)22-12-16(20-21-22)13-24-17-10-6-3-7-11-17/h2-12,14H,13H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyJBVLRONKJPJJSM-CQSZACIVSA-N
XLogP3.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.06
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)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938362
(2S)-N-(2-methyl-3-pyridinyl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938361
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide
CID 124938567
(2S)-N,N-dimethyl-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938273
(2S)-N-(1H-indazol-7-yl)-2-[4-(phenoxymethyl)triazol-1-yl]propanamide
CID 124938174
(2R)-1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(phenoxymethyl)triazol-1-yl]propan-1-one
CID 124938551
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 124938470
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide
CID 82202035
2-(4-aminopyrazol-1-yl)-N-phenylpropanamide
CID 43116751
N-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055234
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide?
The IUPAC name of (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide (CID 124938277) is (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide is C[C@H](C(=O)Nc1ccccc1)n1cc(COc2ccccc2)nn1.
What is the InChIKey of (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide?
The InChIKey is JBVLRONKJPJJSM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-14(18(23)19-15-8-4-2-5-9-15)22-12-16(20-21-22)13-24-17-10-6-3-7-11-17/h2-12,14H,13H2,1H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide?
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-phenylpropanamide has a molecular weight of 322.37 g/mol, XLogP of 3.06, 6 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-phenylpropanamide is sourced from PubChem (CID 124938277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).