2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide

C20H20N2O4 — CID 167985786

IUPAC2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide
SMILESO=C1Nc2ccccc2OCC1NC(=O)C(O)c1ccc(C2CC2)cc1
InChIInChI=1S/C20H20N2O4/c23-18(14-9-7-13(8-10-14)12-5-6-12)20(25)22-16-11-26-17-4-2-1-3-15(17)21-19(16)24/h1-4,7-10,12,16,18,23H,5-6,11H2,(H,21,24)(H,22,25)
InChIKeyWRYHIFKNPURIMM-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.11
Rot. Bonds4

About 2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide

2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide (PubChem CID 167985786) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide
PubChem CID167985786
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide
SMILESO=C1Nc2ccccc2OCC1NC(=O)C(O)c1ccc(C2CC2)cc1
InChIInChI=1S/C20H20N2O4/c23-18(14-9-7-13(8-10-14)12-5-6-12)20(25)22-16-11-26-17-4-2-1-3-15(17)21-19(16)24/h1-4,7-10,12,16,18,23H,5-6,11H2,(H,21,24)(H,22,25)
InChIKeyWRYHIFKNPURIMM-UHFFFAOYSA-N
XLogP2.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide?
The IUPAC name of 2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide (CID 167985786) is 2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide?
The canonical SMILES for 2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide is O=C1Nc2ccccc2OCC1NC(=O)C(O)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide?
The InChIKey is WRYHIFKNPURIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(14-9-7-13(8-10-14)12-5-6-12)20(25)22-16-11-26-17-4-2-1-3-15(17)21-19(16)24/h1-4,7-10,12,16,18,23H,5-6,11H2,(H,21,24)(H,22,25).
What are the key properties of 2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide?
2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-2-hydroxy-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide is sourced from PubChem (CID 167985786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).