2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid

C20H23N3O3 — CID 7207787

IUPAC2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid
SMILESCCN(CC)c1ccc(/C=N/c2ccc(C(=O)NCC(=O)O)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-3-23(4-2)18-11-5-15(6-12-18)13-21-17-9-7-16(8-10-17)20(26)22-14-19(24)25/h5-13H,3-4,14H2,1-2H3,(H,22,26)(H,24,25)/b21-13+
InChIKeyUAYJHBLPYJRTNC-FYJGNVAPSA-N
MW353.42 g/mol
LogP3.10
Rot. Bonds8

About 2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid

2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid (PubChem CID 7207787) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid
PubChem CID7207787
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid
SMILESCCN(CC)c1ccc(/C=N/c2ccc(C(=O)NCC(=O)O)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-3-23(4-2)18-11-5-15(6-12-18)13-21-17-9-7-16(8-10-17)20(26)22-14-19(24)25/h5-13H,3-4,14H2,1-2H3,(H,22,26)(H,24,25)/b21-13+
InChIKeyUAYJHBLPYJRTNC-FYJGNVAPSA-N
XLogP3.10
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]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

Related Compounds

4-[[4-(diethylamino)phenyl]methylideneamino]-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
CID 3719233
2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid
CID 39846636
N-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfonylacetamide
CID 1284363
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
N-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine
CID 89343522
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105
4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride
CID 119057126

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid (CID 7207787) is 2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid is CCN(CC)c1ccc(/C=N/c2ccc(C(=O)NCC(=O)O)cc2)cc1.
What is the InChIKey of 2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid?
The InChIKey is UAYJHBLPYJRTNC-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-23(4-2)18-11-5-15(6-12-18)13-21-17-9-7-16(8-10-17)20(26)22-14-19(24)25/h5-13H,3-4,14H2,1-2H3,(H,22,26)(H,24,25)/b21-13+.
What are the key properties of 2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid?
2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid has a molecular weight of 353.42 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid is sourced from PubChem (CID 7207787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).