(13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one

C21H32N2O2 — CID 24757715

IUPAC(13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one
SMILESO=C1CCCCCCCCCC/C(=N\OCc2ccccc2)CCN1
InChIInChI=1S/C21H32N2O2/c24-21-15-11-6-4-2-1-3-5-10-14-20(16-17-22-21)23-25-18-19-12-8-7-9-13-19/h7-9,12-13H,1-6,10-11,14-18H2,(H,22,24)/b23-20+
InChIKeyVASFWECVSJIYNP-BSYVCWPDSA-N
MW344.50 g/mol
LogP4.98
Rot. Bonds3

About (13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one

(13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one (PubChem CID 24757715) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one.

Molecular Properties

Compound Name(13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one
PubChem CID24757715
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name(13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one
SMILESO=C1CCCCCCCCCC/C(=N\OCc2ccccc2)CCN1
InChIInChI=1S/C21H32N2O2/c24-21-15-11-6-4-2-1-3-5-10-14-20(16-17-22-21)23-25-18-19-12-8-7-9-13-19/h7-9,12-13H,1-6,10-11,14-18H2,(H,22,24)/b23-20+
InChIKeyVASFWECVSJIYNP-BSYVCWPDSA-N
XLogP4.98
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one?
The IUPAC name of (13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one (CID 24757715) is (13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one.
What is the SMILES notation for (13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one?
The canonical SMILES for (13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one is O=C1CCCCCCCCCC/C(=N\OCc2ccccc2)CCN1.
What is the InChIKey of (13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one?
The InChIKey is VASFWECVSJIYNP-BSYVCWPDSA-N. The full InChI is InChI=1S/C21H32N2O2/c24-21-15-11-6-4-2-1-3-5-10-14-20(16-17-22-21)23-25-18-19-12-8-7-9-13-19/h7-9,12-13H,1-6,10-11,14-18H2,(H,22,24)/b23-20+.
What are the key properties of (13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one?
(13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one has a molecular weight of 344.50 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (13E)-13-phenylmethoxyimino-azacyclopentadecan-2-one is sourced from PubChem (CID 24757715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).