[2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone

C20H21NO4 — CID 164915470

IUPAC[2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone
SMILESCC(C)=NOc1ccccc1C(=O)c1cccc(C)c1C1OCCO1
InChIInChI=1S/C20H21NO4/c1-13(2)21-25-17-10-5-4-8-15(17)19(22)16-9-6-7-14(3)18(16)20-23-11-12-24-20/h4-10,20H,11-12H2,1-3H3
InChIKeyPVHVOZGAAAIJDT-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.05
Rot. Bonds5

About [2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone

[2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone (PubChem CID 164915470) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is [2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone.

Molecular Properties

Compound Name[2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone
PubChem CID164915470
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone
SMILESCC(C)=NOc1ccccc1C(=O)c1cccc(C)c1C1OCCO1
InChIInChI=1S/C20H21NO4/c1-13(2)21-25-17-10-5-4-8-15(17)19(22)16-9-6-7-14(3)18(16)20-23-11-12-24-20/h4-10,20H,11-12H2,1-3H3
InChIKeyPVHVOZGAAAIJDT-UHFFFAOYSA-N
XLogP4.05
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone?
The IUPAC name of [2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone (CID 164915470) is [2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone.
What is the SMILES notation for [2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone?
The canonical SMILES for [2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone is CC(C)=NOc1ccccc1C(=O)c1cccc(C)c1C1OCCO1.
What is the InChIKey of [2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone?
The InChIKey is PVHVOZGAAAIJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13(2)21-25-17-10-5-4-8-15(17)19(22)16-9-6-7-14(3)18(16)20-23-11-12-24-20/h4-10,20H,11-12H2,1-3H3.
What are the key properties of [2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone?
[2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone has a molecular weight of 339.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone is sourced from PubChem (CID 164915470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).