4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide

C22H24N4O3 — CID 41412796

IUPAC4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C22H24N4O3/c1-2-29-20-10-6-18(7-11-20)22(28)24-16-21(27)23-14-12-17-4-8-19(9-5-17)26-15-3-13-25-26/h3-11,13,15H,2,12,14,16H2,1H3,(H,23,27)(H,24,28)
InChIKeyVRRFTCHOXDQQLK-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.36
Rot. Bonds9

About 4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide

4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide (PubChem CID 41412796) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
PubChem CID41412796
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C22H24N4O3/c1-2-29-20-10-6-18(7-11-20)22(28)24-16-21(27)23-14-12-17-4-8-19(9-5-17)26-15-3-13-25-26/h3-11,13,15H,2,12,14,16H2,1H3,(H,23,27)(H,24,28)
InChIKeyVRRFTCHOXDQQLK-UHFFFAOYSA-N
XLogP2.36
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
CID 41412794
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 119699721
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412873
3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 32707909
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
4-methoxy-N-[2-[[N'-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111863419
4-chloro-N-[4-oxo-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]butyl]benzamide
CID 26081615
3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid
CID 120535479
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide (CID 41412796) is 4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)NCCc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide?
The InChIKey is VRRFTCHOXDQQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-29-20-10-6-18(7-11-20)22(28)24-16-21(27)23-14-12-17-4-8-19(9-5-17)26-15-3-13-25-26/h3-11,13,15H,2,12,14,16H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide?
4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide has a molecular weight of 392.46 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide is sourced from PubChem (CID 41412796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).