3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide

C22H25N3O4 — CID 142694067

IUPAC3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide
SMILESCCC(C)(O)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C22H25N3O4/c1-4-22(2,27)29-19-13-17(21(26)23-20-10-11-25(3)24-20)12-18(14-19)28-15-16-8-6-5-7-9-16/h5-14,27H,4,15H2,1-3H3,(H,23,24,26)
InChIKeyVZDMZKDGZACRAO-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.75
Rot. Bonds8

About 3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide

3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide (PubChem CID 142694067) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide
PubChem CID142694067
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide
SMILESCCC(C)(O)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C22H25N3O4/c1-4-22(2,27)29-19-13-17(21(26)23-20-10-11-25(3)24-20)12-18(14-19)28-15-16-8-6-5-7-9-16/h5-14,27H,4,15H2,1-3H3,(H,23,24,26)
InChIKeyVZDMZKDGZACRAO-UHFFFAOYSA-N
XLogP3.75
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-phenylmethoxyphenoxy]cyclobutyl] formate
CID 89048732
N-(1-methylpyrazol-3-yl)-3-oxo-7-phenylmethoxy-1,2-dihydroisoindole-5-carboxamide
CID 67966683
tert-butyl 3-[(3-phenylmethoxy-5-propan-2-yloxybenzoyl)amino]pyrazole-1-carboxylate
CID 57469201
N-(1-methylpyrazol-3-yl)-3-phenoxybenzamide
CID 7614445
N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide
CID 142197494
3-ethoxy-N-(1-methylpyrazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 39681534
3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide
CID 143391703
3-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenylmethoxybenzoyl]amino]-5-methylpyrazole-1-carboxylic acid
CID 66921195
2-[(4-fluorophenyl)methoxy]-N-(1-methylpyrazol-3-yl)benzamide
CID 24627289
3-[2-(4-methoxyphenyl)ethyl]-5-(3-methoxypropoxy)-N-(1-methylpyrazol-3-yl)benzamide
CID 53307680
4-[3-(1-methoxypropan-2-yloxy)-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]benzoic acid
CID 67489349
4-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]benzoic acid
CID 58133630

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide?
The IUPAC name of 3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide (CID 142694067) is 3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide.
What is the SMILES notation for 3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide?
The canonical SMILES for 3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide is CCC(C)(O)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2ccn(C)n2)c1.
What is the InChIKey of 3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide?
The InChIKey is VZDMZKDGZACRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-4-22(2,27)29-19-13-17(21(26)23-20-10-11-25(3)24-20)12-18(14-19)28-15-16-8-6-5-7-9-16/h5-14,27H,4,15H2,1-3H3,(H,23,24,26).
What are the key properties of 3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide?
3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide has a molecular weight of 395.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide is sourced from PubChem (CID 142694067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).