4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide

C23H26N4O2 — CID 87442257

IUPAC4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide
SMILESCCc1nccc(-c2ccc(C(=O)Nc3ccccc3NOC(C)(C)C)cc2)n1
InChIInChI=1S/C23H26N4O2/c1-5-21-24-15-14-18(25-21)16-10-12-17(13-11-16)22(28)26-19-8-6-7-9-20(19)27-29-23(2,3)4/h6-15,27H,5H2,1-4H3,(H,26,28)
InChIKeyDALYGLVVFCGCOL-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.10
Rot. Bonds6

About 4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide

4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide (PubChem CID 87442257) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide.

Molecular Properties

Compound Name4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide
PubChem CID87442257
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide
SMILESCCc1nccc(-c2ccc(C(=O)Nc3ccccc3NOC(C)(C)C)cc2)n1
InChIInChI=1S/C23H26N4O2/c1-5-21-24-15-14-18(25-21)16-10-12-17(13-11-16)22(28)26-19-8-6-7-9-20(19)27-29-23(2,3)4/h6-15,27H,5H2,1-4H3,(H,26,28)
InChIKeyDALYGLVVFCGCOL-UHFFFAOYSA-N
XLogP5.10
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide?
The IUPAC name of 4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide (CID 87442257) is 4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide.
What is the SMILES notation for 4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide?
The canonical SMILES for 4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide is CCc1nccc(-c2ccc(C(=O)Nc3ccccc3NOC(C)(C)C)cc2)n1.
What is the InChIKey of 4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide?
The InChIKey is DALYGLVVFCGCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-5-21-24-15-14-18(25-21)16-10-12-17(13-11-16)22(28)26-19-8-6-7-9-20(19)27-29-23(2,3)4/h6-15,27H,5H2,1-4H3,(H,26,28).
What are the key properties of 4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide?
4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrimidin-4-yl)-N-[2-[(2-methylpropan-2-yl)oxyamino]phenyl]benzamide is sourced from PubChem (CID 87442257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).