N-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide

C16H15NO2 — CID 125463978

IUPACN-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide
SMILESCC(=O)N[C@H]1c2ccccc2COc2ccccc21
InChIInChI=1S/C16H15NO2/c1-11(18)17-16-13-7-3-2-6-12(13)10-19-15-9-5-4-8-14(15)16/h2-9,16H,10H2,1H3,(H,17,18)/t16-/m0/s1
InChIKeyRXTFUUMHUUWLTB-INIZCTEOSA-N
MW253.30 g/mol
LogP2.80
Rot. Bonds1

About N-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide

N-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide (PubChem CID 125463978) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide.

Molecular Properties

Compound NameN-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide
PubChem CID125463978
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC NameN-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide
SMILESCC(=O)N[C@H]1c2ccccc2COc2ccccc21
InChIInChI=1S/C16H15NO2/c1-11(18)17-16-13-7-3-2-6-12(13)10-19-15-9-5-4-8-14(15)16/h2-9,16H,10H2,1H3,(H,17,18)/t16-/m0/s1
InChIKeyRXTFUUMHUUWLTB-INIZCTEOSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide?
The IUPAC name of N-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide (CID 125463978) is N-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide.
What is the SMILES notation for N-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide?
The canonical SMILES for N-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide is CC(=O)N[C@H]1c2ccccc2COc2ccccc21.
What is the InChIKey of N-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide?
The InChIKey is RXTFUUMHUUWLTB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11(18)17-16-13-7-3-2-6-12(13)10-19-15-9-5-4-8-14(15)16/h2-9,16H,10H2,1H3,(H,17,18)/t16-/m0/s1.
What are the key properties of N-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide?
N-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide has a molecular weight of 253.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(11S)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]acetamide is sourced from PubChem (CID 125463978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).