(2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid

C19H23N3O4 — CID 7591377

IUPAC(2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid
SMILESCOCCN[C@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H23N3O4/c1-26-12-11-20-17(19(24)25)13-18(23)22-16-9-7-15(8-10-16)21-14-5-3-2-4-6-14/h2-10,17,20-21H,11-13H2,1H3,(H,22,23)(H,24,25)/t17-/m1/s1
InChIKeyDDONDVNYJUOIJP-QGZVFWFLSA-N
MW357.41 g/mol
LogP2.45
Rot. Bonds10

About (2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid

(2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid (PubChem CID 7591377) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid
PubChem CID7591377
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid
SMILESCOCCN[C@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H23N3O4/c1-26-12-11-20-17(19(24)25)13-18(23)22-16-9-7-15(8-10-16)21-14-5-3-2-4-6-14/h2-10,17,20-21H,11-13H2,1H3,(H,22,23)(H,24,25)/t17-/m1/s1
InChIKeyDDONDVNYJUOIJP-QGZVFWFLSA-N
XLogP2.45
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic 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

(2R)-4-(4-anilinoanilino)-4-oxo-2-(pentylamino)butanoic acid
CID 7591405
(2R)-2-(3-methoxypropylamino)-4-oxo-4-(4-phenyldiazenylanilino)butanoic acid
CID 7422087
2-(3-methoxypropylamino)-4-oxo-4-(4-phenyldiazenylanilino)butanoic acid
CID 18581017
4-(4-anilinoanilino)-2-(hexylamino)-4-oxobutanoic acid
CID 18581013
4-(4-bromoanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid
CID 18581206
(2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
CID 7422315
2-(2-methoxyethylamino)-4-[4-[(4-methylphenyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 66491338
(2S)-4-(2,6-dichloroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid
CID 2140663
(2S)-4-(3-hydroxyanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid
CID 7025341
4-(3-fluoroanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid
CID 18886225
N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide
CID 3607807
(2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid
CID 7591351

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid?
The IUPAC name of (2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid (CID 7591377) is (2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid is COCCN[C@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid?
The InChIKey is DDONDVNYJUOIJP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-26-12-11-20-17(19(24)25)13-18(23)22-16-9-7-15(8-10-16)21-14-5-3-2-4-6-14/h2-10,17,20-21H,11-13H2,1H3,(H,22,23)(H,24,25)/t17-/m1/s1.
What are the key properties of (2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid?
(2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid has a molecular weight of 357.41 g/mol, XLogP of 2.45, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid is sourced from PubChem (CID 7591377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).