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

C18H18N4O2 — CID 136920263

IUPACN-[(3-amino-2H-isoindol-1-yl)imino]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)/N=N/c2[nH]c(N)c3ccccc23)c1
InChIInChI=1S/C18H18N4O2/c1-11-7-8-12(2)15(9-11)24-10-16(23)21-22-18-14-6-4-3-5-13(14)17(19)20-18/h3-9,20H,10,19H2,1-2H3/b22-21+
InChIKeyOAVJSJBFXONCKA-QURGRASLSA-N
MW322.37 g/mol
LogP4.06
Rot. Bonds4

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

N-[(3-amino-2H-isoindol-1-yl)imino]-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 136920263) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(3-amino-2H-isoindol-1-yl)imino]-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-amino-2H-isoindol-1-yl)imino]-2-(2,5-dimethylphenoxy)acetamide
PubChem CID136920263
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[(3-amino-2H-isoindol-1-yl)imino]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)/N=N/c2[nH]c(N)c3ccccc23)c1
InChIInChI=1S/C18H18N4O2/c1-11-7-8-12(2)15(9-11)24-10-16(23)21-22-18-14-6-4-3-5-13(14)17(19)20-18/h3-9,20H,10,19H2,1-2H3/b22-21+
InChIKeyOAVJSJBFXONCKA-QURGRASLSA-N
XLogP4.06
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.06
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'}

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Related Compounds

N-[(3-amino-2H-isoindol-1-yl)imino]-2-(4-bromophenoxy)acetamide
CID 1178059
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(2,5-dimethylphenoxy)acetamide
CID 135983081
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 2131419
(2R)-N-[(3-amino-2H-isoindol-1-yl)imino]-2-(3,5-dimethylphenoxy)propanamide
CID 734801
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 1126524
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 37132587
N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(2-methylphenoxy)acetamide
CID 2846909
ethyl 2-[3-[[2-(2,4-dimethylphenoxy)acetyl]diazenyl]-2-hydroxyindol-1-yl]acetate
CID 135957357

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2H-isoindol-1-yl)imino]-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[(3-amino-2H-isoindol-1-yl)imino]-2-(2,5-dimethylphenoxy)acetamide (CID 136920263) is N-[(3-amino-2H-isoindol-1-yl)imino]-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(3-amino-2H-isoindol-1-yl)imino]-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(3-amino-2H-isoindol-1-yl)imino]-2-(2,5-dimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)/N=N/c2[nH]c(N)c3ccccc23)c1.
What is the InChIKey of N-[(3-amino-2H-isoindol-1-yl)imino]-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is OAVJSJBFXONCKA-QURGRASLSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-7-8-12(2)15(9-11)24-10-16(23)21-22-18-14-6-4-3-5-13(14)17(19)20-18/h3-9,20H,10,19H2,1-2H3/b22-21+.
What are the key properties of N-[(3-amino-2H-isoindol-1-yl)imino]-2-(2,5-dimethylphenoxy)acetamide?
N-[(3-amino-2H-isoindol-1-yl)imino]-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 322.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2H-isoindol-1-yl)imino]-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 136920263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).