3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide

C20H21N5O2 — CID 52514811

IUPAC3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)ccc1C
InChIInChI=1S/C20H21N5O2/c1-14-8-9-17(10-18(14)23-15(2)26)20(27)24-19(11-25-13-21-12-22-25)16-6-4-3-5-7-16/h3-10,12-13,19H,11H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyOTERSMAAWYUTSN-IBGZPJMESA-N
MW363.42 g/mol
LogP2.72
Rot. Bonds6

About 3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide

3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide (PubChem CID 52514811) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide
PubChem CID52514811
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)ccc1C
InChIInChI=1S/C20H21N5O2/c1-14-8-9-17(10-18(14)23-15(2)26)20(27)24-19(11-25-13-21-12-22-25)16-6-4-3-5-7-16/h3-10,12-13,19H,11H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyOTERSMAAWYUTSN-IBGZPJMESA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetamido-4-methyl-N-[(1S)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide
CID 52514812
2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide
CID 56827245
1-(3-chloro-4-methylphenyl)-3-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]urea
CID 51135005
N-(3-chloro-4-methylphenyl)-N'-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]oxamide
CID 97070868
(2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 99855935
6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 146128301
3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide
CID 86998008
4-fluoro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 56547602
1-(4-chlorophenyl)-2,5-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyrrole-3-carboxamide
CID 56547157
5-methyl-4-nitro-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]thiophene-2-carboxamide
CID 51133786
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 99992535
cis-(1S,2R)-2-(2-methylphenyl)-N-[(1S)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 98799294

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide?
The IUPAC name of 3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide (CID 52514811) is 3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide is CC(=O)Nc1cc(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)ccc1C.
What is the InChIKey of 3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide?
The InChIKey is OTERSMAAWYUTSN-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-8-9-17(10-18(14)23-15(2)26)20(27)24-19(11-25-13-21-12-22-25)16-6-4-3-5-7-16/h3-10,12-13,19H,11H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of 3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide?
3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 52514811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).