N-(11-hydroxy-6-methyl-6H-benzo[c][1]benzoxepin-11-yl)acetamide

C17H17NO3 — CID 54294982

IUPACN-(11-hydroxy-6-methyl-6H-benzo[c][1]benzoxepin-11-yl)acetamide
SMILESCC(=O)NC1(O)c2ccccc2OC(C)c2ccccc21
InChIInChI=1S/C17H17NO3/c1-11-13-7-3-4-8-14(13)17(20,18-12(2)19)15-9-5-6-10-16(15)21-11/h3-11,20H,1-2H3,(H,18,19)
InChIKeySAECOXKKUICKQL-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.47
Rot. Bonds1

About N-(11-hydroxy-6-methyl-6H-benzo[c][1]benzoxepin-11-yl)acetamide

N-(11-hydroxy-6-methyl-6H-benzo[c][1]benzoxepin-11-yl)acetamide (PubChem CID 54294982) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(11-hydroxy-6-methyl-6H-benzo[c][1]benzoxepin-11-yl)acetamide.

Molecular Properties

Compound NameN-(11-hydroxy-6-methyl-6H-benzo[c][1]benzoxepin-11-yl)acetamide
PubChem CID54294982
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(11-hydroxy-6-methyl-6H-benzo[c][1]benzoxepin-11-yl)acetamide
SMILESCC(=O)NC1(O)c2ccccc2OC(C)c2ccccc21
InChIInChI=1S/C17H17NO3/c1-11-13-7-3-4-8-14(13)17(20,18-12(2)19)15-9-5-6-10-16(15)21-11/h3-11,20H,1-2H3,(H,18,19)
InChIKeySAECOXKKUICKQL-UHFFFAOYSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(11-hydroxy-6-methyl-6H-benzo[c][1]benzoxepin-11-yl)acetamide?
The IUPAC name of N-(11-hydroxy-6-methyl-6H-benzo[c][1]benzoxepin-11-yl)acetamide (CID 54294982) is N-(11-hydroxy-6-methyl-6H-benzo[c][1]benzoxepin-11-yl)acetamide.
What is the SMILES notation for N-(11-hydroxy-6-methyl-6H-benzo[c][1]benzoxepin-11-yl)acetamide?
The canonical SMILES for N-(11-hydroxy-6-methyl-6H-benzo[c][1]benzoxepin-11-yl)acetamide is CC(=O)NC1(O)c2ccccc2OC(C)c2ccccc21.
What is the InChIKey of N-(11-hydroxy-6-methyl-6H-benzo[c][1]benzoxepin-11-yl)acetamide?
The InChIKey is SAECOXKKUICKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-13-7-3-4-8-14(13)17(20,18-12(2)19)15-9-5-6-10-16(15)21-11/h3-11,20H,1-2H3,(H,18,19).
What are the key properties of N-(11-hydroxy-6-methyl-6H-benzo[c][1]benzoxepin-11-yl)acetamide?
N-(11-hydroxy-6-methyl-6H-benzo[c][1]benzoxepin-11-yl)acetamide has a molecular weight of 283.33 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-hydroxy-6-methyl-6H-benzo[c][1]benzoxepin-11-yl)acetamide is sourced from PubChem (CID 54294982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).