[1-(4-methylphenyl)propylideneamino] 4-propoxybenzoate

C20H23NO3 — CID 2933118

IUPAC[1-(4-methylphenyl)propylideneamino] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)ON=C(CC)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-4-14-23-18-12-10-17(11-13-18)20(22)24-21-19(5-2)16-8-6-15(3)7-9-16/h6-13H,4-5,14H2,1-3H3
InChIKeyOGOJNWSGENMBCM-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.75
Rot. Bonds7

About [1-(4-methylphenyl)propylideneamino] 4-propoxybenzoate

[1-(4-methylphenyl)propylideneamino] 4-propoxybenzoate (PubChem CID 2933118) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [1-(4-methylphenyl)propylideneamino] 4-propoxybenzoate.

Molecular Properties

Compound Name[1-(4-methylphenyl)propylideneamino] 4-propoxybenzoate
PubChem CID2933118
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[1-(4-methylphenyl)propylideneamino] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)ON=C(CC)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-4-14-23-18-12-10-17(11-13-18)20(22)24-21-19(5-2)16-8-6-15(3)7-9-16/h6-13H,4-5,14H2,1-3H3
InChIKeyOGOJNWSGENMBCM-UHFFFAOYSA-N
XLogP4.75
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 [1-(4-methylphenyl)propylideneamino] 4-propoxybenzoate?
The IUPAC name of [1-(4-methylphenyl)propylideneamino] 4-propoxybenzoate (CID 2933118) is [1-(4-methylphenyl)propylideneamino] 4-propoxybenzoate.
What is the SMILES notation for [1-(4-methylphenyl)propylideneamino] 4-propoxybenzoate?
The canonical SMILES for [1-(4-methylphenyl)propylideneamino] 4-propoxybenzoate is CCCOc1ccc(C(=O)ON=C(CC)c2ccc(C)cc2)cc1.
What is the InChIKey of [1-(4-methylphenyl)propylideneamino] 4-propoxybenzoate?
The InChIKey is OGOJNWSGENMBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-14-23-18-12-10-17(11-13-18)20(22)24-21-19(5-2)16-8-6-15(3)7-9-16/h6-13H,4-5,14H2,1-3H3.
What are the key properties of [1-(4-methylphenyl)propylideneamino] 4-propoxybenzoate?
[1-(4-methylphenyl)propylideneamino] 4-propoxybenzoate has a molecular weight of 325.41 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)propylideneamino] 4-propoxybenzoate is sourced from PubChem (CID 2933118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).