3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide

C22H24N4O2 — CID 126440387

IUPAC3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
SMILESCC(=O)c1cccc(-c2cccc(C(=O)N[C@H](c3ncnn3C)C(C)C)c2)c1
InChIInChI=1S/C22H24N4O2/c1-14(2)20(21-23-13-24-26(21)4)25-22(28)19-10-6-9-18(12-19)17-8-5-7-16(11-17)15(3)27/h5-14,20H,1-4H3,(H,25,28)/t20-/m0/s1
InChIKeyZPWIMKWZLZJHOX-FQEVSTJZSA-N
MW376.46 g/mol
LogP3.81
Rot. Bonds6

About 3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide

3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide (PubChem CID 126440387) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
PubChem CID126440387
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
SMILESCC(=O)c1cccc(-c2cccc(C(=O)N[C@H](c3ncnn3C)C(C)C)c2)c1
InChIInChI=1S/C22H24N4O2/c1-14(2)20(21-23-13-24-26(21)4)25-22(28)19-10-6-9-18(12-19)17-8-5-7-16(11-17)15(3)27/h5-14,20H,1-4H3,(H,25,28)/t20-/m0/s1
InChIKeyZPWIMKWZLZJHOX-FQEVSTJZSA-N
XLogP3.81
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-3-(3-methyl-4-pyridinyl)benzamide
CID 126450378
methyl 4-[3-[[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxylate
CID 125447777
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
CID 125157786
3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 125178271
5-fluoro-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 125442541
5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 125442540
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(2-oxo-1H-pyrimidin-5-yl)benzamide
CID 126449011
3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 122557982
N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide
CID 118789621
2-(methylamino)-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 124842063
1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157750
1-methyl-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157749

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
The IUPAC name of 3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide (CID 126440387) is 3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide.
What is the SMILES notation for 3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
The canonical SMILES for 3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide is CC(=O)c1cccc(-c2cccc(C(=O)N[C@H](c3ncnn3C)C(C)C)c2)c1.
What is the InChIKey of 3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
The InChIKey is ZPWIMKWZLZJHOX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14(2)20(21-23-13-24-26(21)4)25-22(28)19-10-6-9-18(12-19)17-8-5-7-16(11-17)15(3)27/h5-14,20H,1-4H3,(H,25,28)/t20-/m0/s1.
What are the key properties of 3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide is sourced from PubChem (CID 126440387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).