4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide

C25H30N4O5 — CID 52564102

IUPAC4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C25H30N4O5/c1-25(2,3)20-13-22(29(28-20)14-16-9-7-6-8-10-16)27-24(31)17-11-18(32-4)23(19(12-17)33-5)34-15-21(26)30/h6-13H,14-15H2,1-5H3,(H2,26,30)(H,27,31)
InChIKeyWGWCGNZRNYZARL-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.36
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide

4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide (PubChem CID 52564102) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide
PubChem CID52564102
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C25H30N4O5/c1-25(2,3)20-13-22(29(28-20)14-16-9-7-6-8-10-16)27-24(31)17-11-18(32-4)23(19(12-17)33-5)34-15-21(26)30/h6-13H,14-15H2,1-5H3,(H2,26,30)(H,27,31)
InChIKeyWGWCGNZRNYZARL-UHFFFAOYSA-N
XLogP3.36
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-5-ethoxy-4-methoxy-2-nitrobenzamide
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CID 119704784
7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide
CID 119704765
4-(2-amino-2-oxoethoxy)-N-(2,4-dimethylphenyl)-3,5-dimethoxybenzamide
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N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-bromo-5-fluorobenzamide
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N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide
CID 86939297
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(2-methylsulfonylphenyl)benzamide
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4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide
CID 55891532
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78847394
1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(3-hydroxypropyl)urea
CID 110891167
N-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide
CID 141134047
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 27901919

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide (CID 52564102) is 4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide is COc1cc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cc(OC)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide?
The InChIKey is WGWCGNZRNYZARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-25(2,3)20-13-22(29(28-20)14-16-9-7-6-8-10-16)27-24(31)17-11-18(32-4)23(19(12-17)33-5)34-15-21(26)30/h6-13H,14-15H2,1-5H3,(H2,26,30)(H,27,31).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide has a molecular weight of 466.54 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 52564102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).