(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C20H21N5O2 — CID 32592112

IUPAC(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccccc1CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1
InChIInChI=1S/C20H21N5O2/c1-14-5-3-4-6-16(14)11-19(26)23-17-7-9-18(10-8-17)24-20(27)15(2)25-13-21-12-22-25/h3-10,12-13,15H,11H2,1-2H3,(H,23,26)(H,24,27)/t15-/m1/s1
InChIKeyOHAIJMYXYQOJRJ-OAHLLOKOSA-N
MW363.42 g/mol
LogP2.97
Rot. Bonds6

About (2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 32592112) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID32592112
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccccc1CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1
InChIInChI=1S/C20H21N5O2/c1-14-5-3-4-6-16(14)11-19(26)23-17-7-9-18(10-8-17)24-20(27)15(2)25-13-21-12-22-25/h3-10,12-13,15H,11H2,1-2H3,(H,23,26)(H,24,27)/t15-/m1/s1
InChIKeyOHAIJMYXYQOJRJ-OAHLLOKOSA-N
XLogP2.97
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950969
3,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 46403524
(2R)-N-[4-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51948969
N-[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42957341
N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60509170
N-[4-[(2-chloro-2-fluoroacetyl)amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166427685
N-[4-[3-(furan-2-yl)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 43071004
2-amino-3-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide;dihydrochloride
CID 119848887
N-[4-[3-(4-chlorophenyl)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 42959524
4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 42957346
N-[4-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 55679793
N-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 55653141

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 32592112) is (2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is Cc1ccccc1CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1.
What is the InChIKey of (2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is OHAIJMYXYQOJRJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-5-3-4-6-16(14)11-19(26)23-17-7-9-18(10-8-17)24-20(27)15(2)25-13-21-12-22-25/h3-10,12-13,15H,11H2,1-2H3,(H,23,26)(H,24,27)/t15-/m1/s1.
What are the key properties of (2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 363.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 32592112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).