ethyl 5-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxypentanoate

C19H22N2O3 — CID 14820371

IUPACethyl 5-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxypentanoate
SMILESCCOC(=O)CCCCO/N=C(/c1ccccc1)c1cccnc1
InChIInChI=1S/C19H22N2O3/c1-2-23-18(22)12-6-7-14-24-21-19(16-9-4-3-5-10-16)17-11-8-13-20-15-17/h3-5,8-11,13,15H,2,6-7,12,14H2,1H3/b21-19-
InChIKeyMXKKRBZHGZCYCV-VZCXRCSSSA-N
MW326.40 g/mol
LogP3.58
Rot. Bonds9

About ethyl 5-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxypentanoate

ethyl 5-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxypentanoate (PubChem CID 14820371) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl 5-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxypentanoate.

Molecular Properties

Compound Nameethyl 5-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxypentanoate
PubChem CID14820371
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nameethyl 5-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxypentanoate
SMILESCCOC(=O)CCCCO/N=C(/c1ccccc1)c1cccnc1
InChIInChI=1S/C19H22N2O3/c1-2-23-18(22)12-6-7-14-24-21-19(16-9-4-3-5-10-16)17-11-8-13-20-15-17/h3-5,8-11,13,15H,2,6-7,12,14H2,1H3/b21-19-
InChIKeyMXKKRBZHGZCYCV-VZCXRCSSSA-N
XLogP3.58
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 ethyl 5-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxypentanoate?
The IUPAC name of ethyl 5-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxypentanoate (CID 14820371) is ethyl 5-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxypentanoate.
What is the SMILES notation for ethyl 5-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxypentanoate?
The canonical SMILES for ethyl 5-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxypentanoate is CCOC(=O)CCCCO/N=C(/c1ccccc1)c1cccnc1.
What is the InChIKey of ethyl 5-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxypentanoate?
The InChIKey is MXKKRBZHGZCYCV-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-23-18(22)12-6-7-14-24-21-19(16-9-4-3-5-10-16)17-11-8-13-20-15-17/h3-5,8-11,13,15H,2,6-7,12,14H2,1H3/b21-19-.
What are the key properties of ethyl 5-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxypentanoate?
ethyl 5-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxypentanoate has a molecular weight of 326.40 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]oxypentanoate is sourced from PubChem (CID 14820371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).