4-hydroxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]benzamide

C22H24N4O4 — CID 166148018

IUPAC4-hydroxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)c3ccc(O)cc3)cn2)cc1
InChIInChI=1S/C22H24N4O4/c1-16-3-9-20(10-4-16)30-12-11-25(2)21(28)15-26-14-18(13-23-26)24-22(29)17-5-7-19(27)8-6-17/h3-10,13-14,27H,11-12,15H2,1-2H3,(H,24,29)
InChIKeySWDFQOPVQJWRDY-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.69
Rot. Bonds8

About 4-hydroxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]benzamide

4-hydroxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]benzamide (PubChem CID 166148018) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-hydroxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]benzamide
PubChem CID166148018
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name4-hydroxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)c3ccc(O)cc3)cn2)cc1
InChIInChI=1S/C22H24N4O4/c1-16-3-9-20(10-4-16)30-12-11-25(2)21(28)15-26-14-18(13-23-26)24-22(29)17-5-7-19(27)8-6-17/h3-10,13-14,27H,11-12,15H2,1-2H3,(H,24,29)
InChIKeySWDFQOPVQJWRDY-UHFFFAOYSA-N
XLogP2.69
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-hydroxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]benzamide (CID 166148018) is 4-hydroxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-hydroxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]benzamide is Cc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)c3ccc(O)cc3)cn2)cc1.
What is the InChIKey of 4-hydroxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]benzamide?
The InChIKey is SWDFQOPVQJWRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-16-3-9-20(10-4-16)30-12-11-25(2)21(28)15-26-14-18(13-23-26)24-22(29)17-5-7-19(27)8-6-17/h3-10,13-14,27H,11-12,15H2,1-2H3,(H,24,29).
What are the key properties of 4-hydroxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]benzamide?
4-hydroxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]benzamide has a molecular weight of 408.46 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 166148018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).