dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate

C15H19NO5 — CID 91290433

IUPACdimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate
SMILESCOC(=O)C/C(=N\c1ccc(OC(C)C)cc1)C(=O)OC
InChIInChI=1S/C15H19NO5/c1-10(2)21-12-7-5-11(6-8-12)16-13(15(18)20-4)9-14(17)19-3/h5-8,10H,9H2,1-4H3/b16-13+
InChIKeyODTFAJFXOCVCBW-DTQAZKPQSA-N
MW293.32 g/mol
LogP2.28
Rot. Bonds6

About dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate

dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate (PubChem CID 91290433) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate.

Molecular Properties

Compound Namedimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate
PubChem CID91290433
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namedimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate
SMILESCOC(=O)C/C(=N\c1ccc(OC(C)C)cc1)C(=O)OC
InChIInChI=1S/C15H19NO5/c1-10(2)21-12-7-5-11(6-8-12)16-13(15(18)20-4)9-14(17)19-3/h5-8,10H,9H2,1-4H3/b16-13+
InChIKeyODTFAJFXOCVCBW-DTQAZKPQSA-N
XLogP2.28
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate?
The IUPAC name of dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate (CID 91290433) is dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate.
What is the SMILES notation for dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate?
The canonical SMILES for dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate is COC(=O)C/C(=N\c1ccc(OC(C)C)cc1)C(=O)OC.
What is the InChIKey of dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate?
The InChIKey is ODTFAJFXOCVCBW-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10(2)21-12-7-5-11(6-8-12)16-13(15(18)20-4)9-14(17)19-3/h5-8,10H,9H2,1-4H3/b16-13+.
What are the key properties of dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate?
dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate has a molecular weight of 293.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate is sourced from PubChem (CID 91290433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).