2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide

C20H22N4O2 — CID 68756527

IUPAC2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide
SMILESCN(CCOc1cc(-c2cn[nH]c2)ccc1C(N)=O)Cc1ccccc1
InChIInChI=1S/C20H22N4O2/c1-24(14-15-5-3-2-4-6-15)9-10-26-19-11-16(17-12-22-23-13-17)7-8-18(19)20(21)25/h2-8,11-13H,9-10,14H2,1H3,(H2,21,25)(H,22,23)
InChIKeyAHPLSUIDNIUMRN-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.69
Rot. Bonds8

About 2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide

2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 68756527) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide
PubChem CID68756527
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide
SMILESCN(CCOc1cc(-c2cn[nH]c2)ccc1C(N)=O)Cc1ccccc1
InChIInChI=1S/C20H22N4O2/c1-24(14-15-5-3-2-4-6-15)9-10-26-19-11-16(17-12-22-23-13-17)7-8-18(19)20(21)25/h2-8,11-13H,9-10,14H2,1H3,(H2,21,25)(H,22,23)
InChIKeyAHPLSUIDNIUMRN-UHFFFAOYSA-N
XLogP2.69
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide (CID 68756527) is 2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide is CN(CCOc1cc(-c2cn[nH]c2)ccc1C(N)=O)Cc1ccccc1.
What is the InChIKey of 2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is AHPLSUIDNIUMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24(14-15-5-3-2-4-6-15)9-10-26-19-11-16(17-12-22-23-13-17)7-8-18(19)20(21)25/h2-8,11-13H,9-10,14H2,1H3,(H2,21,25)(H,22,23).
What are the key properties of 2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide?
2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 68756527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).