(2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide

C19H20N4O2 — CID 734801

IUPAC(2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(O[C@H](C)C(=O)/N=N/c2[nH]c(N)c3ccccc23)c1
InChIInChI=1S/C19H20N4O2/c1-11-8-12(2)10-14(9-11)25-13(3)19(24)23-22-18-16-7-5-4-6-15(16)17(20)21-18/h4-10,13,21H,20H2,1-3H3/b23-22+/t13-/m1/s1
InChIKeyQMSNDVLDBPFJPJ-IKYLFJRQSA-N
MW336.40 g/mol
LogP4.44
Rot. Bonds4

About (2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide

(2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide (PubChem CID 734801) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide
PubChem CID734801
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(O[C@H](C)C(=O)/N=N/c2[nH]c(N)c3ccccc23)c1
InChIInChI=1S/C19H20N4O2/c1-11-8-12(2)10-14(9-11)25-13(3)19(24)23-22-18-16-7-5-4-6-15(16)17(20)21-18/h4-10,13,21H,20H2,1-3H3/b23-22+/t13-/m1/s1
InChIKeyQMSNDVLDBPFJPJ-IKYLFJRQSA-N
XLogP4.44
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide 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 (2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide (CID 734801) is (2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(O[C@H](C)C(=O)/N=N/c2[nH]c(N)c3ccccc23)c1.
What is the InChIKey of (2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide?
The InChIKey is QMSNDVLDBPFJPJ-IKYLFJRQSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-11-8-12(2)10-14(9-11)25-13(3)19(24)23-22-18-16-7-5-4-6-15(16)17(20)21-18/h4-10,13,21H,20H2,1-3H3/b23-22+/t13-/m1/s1.
What are the key properties of (2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide?
(2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide has a molecular weight of 336.40 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 734801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).