2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid

C19H24N4O2 — CID 174397204

IUPAC2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid
SMILESCCN(CC)c1cccc(C(Nc2ccc(C=NN)cc2)C(=O)O)c1
InChIInChI=1S/C19H24N4O2/c1-3-23(4-2)17-7-5-6-15(12-17)18(19(24)25)22-16-10-8-14(9-11-16)13-21-20/h5-13,18,22H,3-4,20H2,1-2H3,(H,24,25)
InChIKeyCZKCQWWMAYZBJI-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.06
Rot. Bonds8

About 2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid

2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid (PubChem CID 174397204) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid.

Molecular Properties

Compound Name2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid
PubChem CID174397204
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid
SMILESCCN(CC)c1cccc(C(Nc2ccc(C=NN)cc2)C(=O)O)c1
InChIInChI=1S/C19H24N4O2/c1-3-23(4-2)17-7-5-6-15(12-17)18(19(24)25)22-16-10-8-14(9-11-16)13-21-20/h5-13,18,22H,3-4,20H2,1-2H3,(H,24,25)
InChIKeyCZKCQWWMAYZBJI-UHFFFAOYSA-N
XLogP3.06
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze 2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid?
The IUPAC name of 2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid (CID 174397204) is 2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid.
What is the SMILES notation for 2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid?
The canonical SMILES for 2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid is CCN(CC)c1cccc(C(Nc2ccc(C=NN)cc2)C(=O)O)c1.
What is the InChIKey of 2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid?
The InChIKey is CZKCQWWMAYZBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-23(4-2)17-7-5-6-15(12-17)18(19(24)25)22-16-10-8-14(9-11-16)13-21-20/h5-13,18,22H,3-4,20H2,1-2H3,(H,24,25).
What are the key properties of 2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid?
2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid has a molecular weight of 340.43 g/mol, XLogP of 3.06, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid is sourced from PubChem (CID 174397204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).