ethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate

C13H17NO5 — CID 58013191

IUPACethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate
SMILESCCOO/C=N/c1ccc(OC)cc1C1OCCO1
InChIInChI=1S/C13H17NO5/c1-3-18-19-9-14-12-5-4-10(15-2)8-11(12)13-16-6-7-17-13/h4-5,8-9,13H,3,6-7H2,1-2H3/b14-9+
InChIKeyQHYOGPYLFCXRIP-NTEUORMPSA-N
MW267.28 g/mol
LogP2.37
Rot. Bonds6

About ethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate

ethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate (PubChem CID 58013191) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate.

Molecular Properties

Compound Nameethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate
PubChem CID58013191
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Nameethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate
SMILESCCOO/C=N/c1ccc(OC)cc1C1OCCO1
InChIInChI=1S/C13H17NO5/c1-3-18-19-9-14-12-5-4-10(15-2)8-11(12)13-16-6-7-17-13/h4-5,8-9,13H,3,6-7H2,1-2H3/b14-9+
InChIKeyQHYOGPYLFCXRIP-NTEUORMPSA-N
XLogP2.37
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate?
The IUPAC name of ethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate (CID 58013191) is ethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate.
What is the SMILES notation for ethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate?
The canonical SMILES for ethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate is CCOO/C=N/c1ccc(OC)cc1C1OCCO1.
What is the InChIKey of ethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate?
The InChIKey is QHYOGPYLFCXRIP-NTEUORMPSA-N. The full InChI is InChI=1S/C13H17NO5/c1-3-18-19-9-14-12-5-4-10(15-2)8-11(12)13-16-6-7-17-13/h4-5,8-9,13H,3,6-7H2,1-2H3/b14-9+.
What are the key properties of ethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate?
ethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate has a molecular weight of 267.28 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy N-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]methanimidate is sourced from PubChem (CID 58013191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).