2-(4-methylphenyl)imino-2-(4-methyl-N-propylanilino)acetic acid

C19H22N2O2 — CID 118098171

IUPAC2-(4-methylphenyl)imino-2-(4-methyl-N-propylanilino)acetic acid
SMILESCCCN(/C(=N/c1ccc(C)cc1)C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O2/c1-4-13-21(17-11-7-15(3)8-12-17)18(19(22)23)20-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,22,23)/b20-18+
InChIKeyFIFFLQQGDKCOBS-CZIZESTLSA-N
MW310.40 g/mol
LogP4.33
Rot. Bonds4

About 2-(4-methylphenyl)imino-2-(4-methyl-N-propylanilino)acetic acid

2-(4-methylphenyl)imino-2-(4-methyl-N-propylanilino)acetic acid (PubChem CID 118098171) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)imino-2-(4-methyl-N-propylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-methylphenyl)imino-2-(4-methyl-N-propylanilino)acetic acid
PubChem CID118098171
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(4-methylphenyl)imino-2-(4-methyl-N-propylanilino)acetic acid
SMILESCCCN(/C(=N/c1ccc(C)cc1)C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O2/c1-4-13-21(17-11-7-15(3)8-12-17)18(19(22)23)20-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,22,23)/b20-18+
InChIKeyFIFFLQQGDKCOBS-CZIZESTLSA-N
XLogP4.33
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)imino-2-(4-methyl-N-propylanilino)acetic acid?
The IUPAC name of 2-(4-methylphenyl)imino-2-(4-methyl-N-propylanilino)acetic acid (CID 118098171) is 2-(4-methylphenyl)imino-2-(4-methyl-N-propylanilino)acetic acid.
What is the SMILES notation for 2-(4-methylphenyl)imino-2-(4-methyl-N-propylanilino)acetic acid?
The canonical SMILES for 2-(4-methylphenyl)imino-2-(4-methyl-N-propylanilino)acetic acid is CCCN(/C(=N/c1ccc(C)cc1)C(=O)O)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)imino-2-(4-methyl-N-propylanilino)acetic acid?
The InChIKey is FIFFLQQGDKCOBS-CZIZESTLSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-13-21(17-11-7-15(3)8-12-17)18(19(22)23)20-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,22,23)/b20-18+.
What are the key properties of 2-(4-methylphenyl)imino-2-(4-methyl-N-propylanilino)acetic acid?
2-(4-methylphenyl)imino-2-(4-methyl-N-propylanilino)acetic acid has a molecular weight of 310.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)imino-2-(4-methyl-N-propylanilino)acetic acid is sourced from PubChem (CID 118098171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).