3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide

C24H28N4O5 — CID 59025395

IUPAC3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCCC(CO)Oc1cc(Oc2ccc(C(=O)N(C)C)cc2)cc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C24H28N4O5/c1-5-18(15-29)32-20-12-17(23(30)25-22-10-11-28(4)26-22)13-21(14-20)33-19-8-6-16(7-9-19)24(31)27(2)3/h6-14,18,29H,5,15H2,1-4H3,(H,25,26,30)
InChIKeyAOQSPPONFAYRFL-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.32
Rot. Bonds9

About 3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide

3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 59025395) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID59025395
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCCC(CO)Oc1cc(Oc2ccc(C(=O)N(C)C)cc2)cc(C(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C24H28N4O5/c1-5-18(15-29)32-20-12-17(23(30)25-22-10-11-28(4)26-22)13-21(14-20)33-19-8-6-16(7-9-19)24(31)27(2)3/h6-14,18,29H,5,15H2,1-4H3,(H,25,26,30)
InChIKeyAOQSPPONFAYRFL-UHFFFAOYSA-N
XLogP3.32
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(dimethylcarbamoyl)phenoxy]-5-[(2S)-1-hydroxybutan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 11503365
3-[(6-ethylsulfonyl-3-pyridinyl)oxy]-5-[(2S)-1-hydroxybutan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 59811610
3-chloro-4-[3-[(1-ethylpyrazol-3-yl)carbamoyl]-5-[(2S)-1-hydroxybutan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide
CID 11504275
3-(2-fluoro-4-methylsulfonylphenoxy)-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide
CID 59025389
3-(4-ethylsulfonyl-2-fluorophenoxy)-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide
CID 59025383
3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 11604824
4-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]benzoic acid
CID 58133630
4-[3-(1-methoxypropan-2-yloxy)-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]benzoic acid
CID 67489349
3-[[6-(dimethylsulfamoyl)-3-pyridinyl]oxy]-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 59811599
[4-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-propan-2-yloxyphenoxy]phenyl]phosphonic acid
CID 58528963
3-[4-(dimethylsulfamoyl)phenoxy]-5-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide
CID 69187173
3-(4-cyanophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 11654366

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide (CID 59025395) is 3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide is CCC(CO)Oc1cc(Oc2ccc(C(=O)N(C)C)cc2)cc(C(=O)Nc2ccn(C)n2)c1.
What is the InChIKey of 3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is AOQSPPONFAYRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-5-18(15-29)32-20-12-17(23(30)25-22-10-11-28(4)26-22)13-21(14-20)33-19-8-6-16(7-9-19)24(31)27(2)3/h6-14,18,29H,5,15H2,1-4H3,(H,25,26,30).
What are the key properties of 3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide?
3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 452.51 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 59025395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).