2-[2-(4-acetylanilino)-2-oxoethoxy]-N-(5-methyl-2-pyridinyl)benzamide

C23H21N3O4 — CID 1300378

IUPAC2-[2-(4-acetylanilino)-2-oxoethoxy]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCC(=O)c1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccc(C)cn2)cc1
InChIInChI=1S/C23H21N3O4/c1-15-7-12-21(24-13-15)26-23(29)19-5-3-4-6-20(19)30-14-22(28)25-18-10-8-17(9-11-18)16(2)27/h3-13H,14H2,1-2H3,(H,25,28)(H,24,26,29)
InChIKeyHYFVUMUJMGFXJQ-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.86
Rot. Bonds7

About 2-[2-(4-acetylanilino)-2-oxoethoxy]-N-(5-methyl-2-pyridinyl)benzamide

2-[2-(4-acetylanilino)-2-oxoethoxy]-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 1300378) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[2-(4-acetylanilino)-2-oxoethoxy]-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-[2-(4-acetylanilino)-2-oxoethoxy]-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID1300378
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name2-[2-(4-acetylanilino)-2-oxoethoxy]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCC(=O)c1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccc(C)cn2)cc1
InChIInChI=1S/C23H21N3O4/c1-15-7-12-21(24-13-15)26-23(29)19-5-3-4-6-20(19)30-14-22(28)25-18-10-8-17(9-11-18)16(2)27/h3-13H,14H2,1-2H3,(H,25,28)(H,24,26,29)
InChIKeyHYFVUMUJMGFXJQ-UHFFFAOYSA-N
XLogP3.86
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetylanilino)-2-oxoethoxy]-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-[2-(4-acetylanilino)-2-oxoethoxy]-N-(5-methyl-2-pyridinyl)benzamide (CID 1300378) is 2-[2-(4-acetylanilino)-2-oxoethoxy]-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-[2-(4-acetylanilino)-2-oxoethoxy]-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-[2-(4-acetylanilino)-2-oxoethoxy]-N-(5-methyl-2-pyridinyl)benzamide is CC(=O)c1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccc(C)cn2)cc1.
What is the InChIKey of 2-[2-(4-acetylanilino)-2-oxoethoxy]-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is HYFVUMUJMGFXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-15-7-12-21(24-13-15)26-23(29)19-5-3-4-6-20(19)30-14-22(28)25-18-10-8-17(9-11-18)16(2)27/h3-13H,14H2,1-2H3,(H,25,28)(H,24,26,29).
What are the key properties of 2-[2-(4-acetylanilino)-2-oxoethoxy]-N-(5-methyl-2-pyridinyl)benzamide?
2-[2-(4-acetylanilino)-2-oxoethoxy]-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 403.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-acetylanilino)-2-oxoethoxy]-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 1300378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).