N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide

C22H26N4O3 — CID 90759463

IUPACN-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide
SMILESCO[C@@H](C)c1ncnn1-c1cc(C(=O)NC(C)CO)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C22H26N4O3/c1-14-5-7-17(8-6-14)18-9-19(22(28)25-15(2)12-27)11-20(10-18)26-21(16(3)29-4)23-13-24-26/h5-11,13,15-16,27H,12H2,1-4H3,(H,25,28)/t15?,16-/m0/s1
InChIKeyCEWAYARBDVGMOW-LYKKTTPLSA-N
MW394.48 g/mol
LogP3.06
Rot. Bonds7

About N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide

N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide (PubChem CID 90759463) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide
PubChem CID90759463
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide
SMILESCO[C@@H](C)c1ncnn1-c1cc(C(=O)NC(C)CO)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C22H26N4O3/c1-14-5-7-17(8-6-14)18-9-19(22(28)25-15(2)12-27)11-20(10-18)26-21(16(3)29-4)23-13-24-26/h5-11,13,15-16,27H,12H2,1-4H3,(H,25,28)/t15?,16-/m0/s1
InChIKeyCEWAYARBDVGMOW-LYKKTTPLSA-N
XLogP3.06
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[(1S)-1-(dimethylamino)ethyl]-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(4-methylphenyl)benzamide
CID 91196234
3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
CID 76601235
N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 90728432
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642
3-imidazol-1-yl-N-(1-methoxypropan-2-yl)-5-(4-methylphenyl)benzamide
CID 42641824
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(triazol-1-yl)benzamide
CID 42645334
N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 76642993
1-[3-(4-methylphenyl)-5-(5-propan-2-yl-1,2,4-triazol-1-yl)phenyl]-3-pyrazin-2-ylbutan-1-one
CID 58459862
N-[1-(1H-imidazol-2-yl)propyl]-3-(4-methylphenyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 90926757
3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 44600198
3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide
CID 124560386
3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide
CID 69004377

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide (CID 90759463) is N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide is CO[C@@H](C)c1ncnn1-c1cc(C(=O)NC(C)CO)cc(-c2ccc(C)cc2)c1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide?
The InChIKey is CEWAYARBDVGMOW-LYKKTTPLSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14-5-7-17(8-6-14)18-9-19(22(28)25-15(2)12-27)11-20(10-18)26-21(16(3)29-4)23-13-24-26/h5-11,13,15-16,27H,12H2,1-4H3,(H,25,28)/t15?,16-/m0/s1.
What are the key properties of N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide?
N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide has a molecular weight of 394.48 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide is sourced from PubChem (CID 90759463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).