(2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide

C19H20N4O2 — CID 27446892

IUPAC(2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2n[nH]c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-12-4-8-15(9-5-12)17-20-19(23-22-17)21-18(24)14(3)25-16-10-6-13(2)7-11-16/h4-11,14H,1-3H3,(H2,20,21,22,23,24)/t14-/m0/s1
InChIKeyHMRYSOTVVVUECW-AWEZNQCLSA-N
MW336.40 g/mol
LogP3.49
Rot. Bonds5

About (2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide

(2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide (PubChem CID 27446892) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide
PubChem CID27446892
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)Nc2n[nH]c(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-12-4-8-15(9-5-12)17-20-19(23-22-17)21-18(24)14(3)25-16-10-6-13(2)7-11-16/h4-11,14H,1-3H3,(H2,20,21,22,23,24)/t14-/m0/s1
InChIKeyHMRYSOTVVVUECW-AWEZNQCLSA-N
XLogP3.49
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992055
(2S)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide
CID 9246906
2-(4-methylphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 43021015
N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide
CID 71545968
N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 44615693
(2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 94139491
(2R)-N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide
CID 9245949
N-[5-(3-chloro-4-hydroxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)propanamide
CID 136532336
N-(1H-imidazol-2-yl)-2-(4-methylphenoxy)propanamide
CID 60967211
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 9247104
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
(2R)-2-(4-methylphenoxy)-N-naphthalen-2-ylpropanamide
CID 837371

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide?
The IUPAC name of (2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide (CID 27446892) is (2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide?
The canonical SMILES for (2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide is Cc1ccc(O[C@@H](C)C(=O)Nc2n[nH]c(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of (2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide?
The InChIKey is HMRYSOTVVVUECW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-4-8-15(9-5-12)17-20-19(23-22-17)21-18(24)14(3)25-16-10-6-13(2)7-11-16/h4-11,14H,1-3H3,(H2,20,21,22,23,24)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide?
(2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide has a molecular weight of 336.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide is sourced from PubChem (CID 27446892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).