N-ethyl-4-(1-ethylpyrazol-4-yl)-N-[2-(3-methylphenoxy)ethyl]benzamide

C23H27N3O2 — CID 122565742

IUPACN-ethyl-4-(1-ethylpyrazol-4-yl)-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCCN(CCOc1cccc(C)c1)C(=O)c1ccc(-c2cnn(CC)c2)cc1
InChIInChI=1S/C23H27N3O2/c1-4-25(13-14-28-22-8-6-7-18(3)15-22)23(27)20-11-9-19(10-12-20)21-16-24-26(5-2)17-21/h6-12,15-17H,4-5,13-14H2,1-3H3
InChIKeyWQPVCWOWDCIVOP-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.42
Rot. Bonds8

About N-ethyl-4-(1-ethylpyrazol-4-yl)-N-[2-(3-methylphenoxy)ethyl]benzamide

N-ethyl-4-(1-ethylpyrazol-4-yl)-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 122565742) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-ethyl-4-(1-ethylpyrazol-4-yl)-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-(1-ethylpyrazol-4-yl)-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID122565742
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-ethyl-4-(1-ethylpyrazol-4-yl)-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCCN(CCOc1cccc(C)c1)C(=O)c1ccc(-c2cnn(CC)c2)cc1
InChIInChI=1S/C23H27N3O2/c1-4-25(13-14-28-22-8-6-7-18(3)15-22)23(27)20-11-9-19(10-12-20)21-16-24-26(5-2)17-21/h6-12,15-17H,4-5,13-14H2,1-3H3
InChIKeyWQPVCWOWDCIVOP-UHFFFAOYSA-N
XLogP4.42
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-ethylpyrazol-4-yl)-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of N-ethyl-4-(1-ethylpyrazol-4-yl)-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 122565742) is N-ethyl-4-(1-ethylpyrazol-4-yl)-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for N-ethyl-4-(1-ethylpyrazol-4-yl)-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for N-ethyl-4-(1-ethylpyrazol-4-yl)-N-[2-(3-methylphenoxy)ethyl]benzamide is CCN(CCOc1cccc(C)c1)C(=O)c1ccc(-c2cnn(CC)c2)cc1.
What is the InChIKey of N-ethyl-4-(1-ethylpyrazol-4-yl)-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is WQPVCWOWDCIVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-4-25(13-14-28-22-8-6-7-18(3)15-22)23(27)20-11-9-19(10-12-20)21-16-24-26(5-2)17-21/h6-12,15-17H,4-5,13-14H2,1-3H3.
What are the key properties of N-ethyl-4-(1-ethylpyrazol-4-yl)-N-[2-(3-methylphenoxy)ethyl]benzamide?
N-ethyl-4-(1-ethylpyrazol-4-yl)-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-ethylpyrazol-4-yl)-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 122565742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).