2-(2,5-dimethoxyphenyl)-2-(4-methanehydrazonoylanilino)acetic acid

C17H19N3O4 — CID 151596409

IUPAC2-(2,5-dimethoxyphenyl)-2-(4-methanehydrazonoylanilino)acetic acid
SMILESCOc1ccc(OC)c(C(Nc2ccc(C=NN)cc2)C(=O)O)c1
InChIInChI=1S/C17H19N3O4/c1-23-13-7-8-15(24-2)14(9-13)16(17(21)22)20-12-5-3-11(4-6-12)10-19-18/h3-10,16,20H,18H2,1-2H3,(H,21,22)
InChIKeyQJNZKQGFNVVEDK-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.23
Rot. Bonds7

About 2-(2,5-dimethoxyphenyl)-2-(4-methanehydrazonoylanilino)acetic acid

2-(2,5-dimethoxyphenyl)-2-(4-methanehydrazonoylanilino)acetic acid (PubChem CID 151596409) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-2-(4-methanehydrazonoylanilino)acetic acid.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-2-(4-methanehydrazonoylanilino)acetic acid
PubChem CID151596409
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-(2,5-dimethoxyphenyl)-2-(4-methanehydrazonoylanilino)acetic acid
SMILESCOc1ccc(OC)c(C(Nc2ccc(C=NN)cc2)C(=O)O)c1
InChIInChI=1S/C17H19N3O4/c1-23-13-7-8-15(24-2)14(9-13)16(17(21)22)20-12-5-3-11(4-6-12)10-19-18/h3-10,16,20H,18H2,1-2H3,(H,21,22)
InChIKeyQJNZKQGFNVVEDK-UHFFFAOYSA-N
XLogP2.23
TPSA106.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-(2,5-dimethoxyphenyl)-2-(4-methanehydrazonoylanilino)acetic acid?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-2-(4-methanehydrazonoylanilino)acetic acid (CID 151596409) is 2-(2,5-dimethoxyphenyl)-2-(4-methanehydrazonoylanilino)acetic acid.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-2-(4-methanehydrazonoylanilino)acetic acid?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-2-(4-methanehydrazonoylanilino)acetic acid is COc1ccc(OC)c(C(Nc2ccc(C=NN)cc2)C(=O)O)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-2-(4-methanehydrazonoylanilino)acetic acid?
The InChIKey is QJNZKQGFNVVEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-23-13-7-8-15(24-2)14(9-13)16(17(21)22)20-12-5-3-11(4-6-12)10-19-18/h3-10,16,20H,18H2,1-2H3,(H,21,22).
What are the key properties of 2-(2,5-dimethoxyphenyl)-2-(4-methanehydrazonoylanilino)acetic acid?
2-(2,5-dimethoxyphenyl)-2-(4-methanehydrazonoylanilino)acetic acid has a molecular weight of 329.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-2-(4-methanehydrazonoylanilino)acetic acid is sourced from PubChem (CID 151596409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).