N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide

C13H16N4O2 — CID 124608281

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)Cn1ccnn1
InChIInChI=1S/C13H16N4O2/c1-10(11-5-3-4-6-12(11)19-2)15-13(18)9-17-8-7-14-16-17/h3-8,10H,9H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyRPVVYUUAQNGTFR-JTQLQIEISA-N
MW260.30 g/mol
LogP1.16
Rot. Bonds5

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide (PubChem CID 124608281) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide
PubChem CID124608281
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)Cn1ccnn1
InChIInChI=1S/C13H16N4O2/c1-10(11-5-3-4-6-12(11)19-2)15-13(18)9-17-8-7-14-16-17/h3-8,10H,9H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyRPVVYUUAQNGTFR-JTQLQIEISA-N
XLogP1.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 94200377
1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanone
CID 178069289
N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
(1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol
CID 178069278
N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55477021
3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119948894
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 110891543
2-ethoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387481
3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 62834607
2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide
CID 81387632
(2R)-3-methyl-2-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 81453562
2-(3,4-dimethoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26883011

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide (CID 124608281) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide is COc1ccccc1[C@H](C)NC(=O)Cn1ccnn1.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide?
The InChIKey is RPVVYUUAQNGTFR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N4O2/c1-10(11-5-3-4-6-12(11)19-2)15-13(18)9-17-8-7-14-16-17/h3-8,10H,9H2,1-2H3,(H,15,18)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide has a molecular weight of 260.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 124608281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).