(2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide

C14H18N4O2 — CID 124882382

IUPAC(2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide
SMILESCO[C@](C)(C(=O)Nc1nc(C)n(C)n1)c1ccccc1
InChIInChI=1S/C14H18N4O2/c1-10-15-13(17-18(10)3)16-12(19)14(2,20-4)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,16,17,19)/t14-/m0/s1
InChIKeyCRNLVIZDHMVTTR-AWEZNQCLSA-N
MW274.32 g/mol
LogP1.62
Rot. Bonds4

About (2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide

(2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide (PubChem CID 124882382) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide
PubChem CID124882382
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide
SMILESCO[C@](C)(C(=O)Nc1nc(C)n(C)n1)c1ccccc1
InChIInChI=1S/C14H18N4O2/c1-10-15-13(17-18(10)3)16-12(19)14(2,20-4)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,16,17,19)/t14-/m0/s1
InChIKeyCRNLVIZDHMVTTR-AWEZNQCLSA-N
XLogP1.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-2-phenylpropanehydrazide
CID 138489021
2-[4-[(2-methoxy-2-phenylpropanoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696536
(2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid
CID 119238650
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylpyrrolidine-2-carboxamide
CID 128532338
1-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-[(1S,2R)-2-phenylcyclohexyl]urea
CID 164636865
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 167753412
(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methoxy-2-phenylpropanamide
CID 95310021
(2R)-2-methoxy-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-phenylpropanamide
CID 95303598
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
CID 37210944
(2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 95309999
3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 119237712
(2R)-2-methoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-phenylpropanamide
CID 95760029

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide?
The IUPAC name of (2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide (CID 124882382) is (2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide?
The canonical SMILES for (2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide is CO[C@](C)(C(=O)Nc1nc(C)n(C)n1)c1ccccc1.
What is the InChIKey of (2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide?
The InChIKey is CRNLVIZDHMVTTR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-15-13(17-18(10)3)16-12(19)14(2,20-4)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,16,17,19)/t14-/m0/s1.
What are the key properties of (2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide?
(2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide has a molecular weight of 274.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxy-2-phenylpropanamide is sourced from PubChem (CID 124882382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).