N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide

C17H19N3O — CID 62206392

IUPACN-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
SMILESCc1c(N)cccc1NC(=O)CN1Cc2ccccc2C1
InChIInChI=1S/C17H19N3O/c1-12-15(18)7-4-8-16(12)19-17(21)11-20-9-13-5-2-3-6-14(13)10-20/h2-8H,9-11,18H2,1H3,(H,19,21)
InChIKeyYATDQBZSJANJMG-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.53
Rot. Bonds3

About N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide

N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide (PubChem CID 62206392) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
PubChem CID62206392
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
SMILESCc1c(N)cccc1NC(=O)CN1Cc2ccccc2C1
InChIInChI=1S/C17H19N3O/c1-12-15(18)7-4-8-16(12)19-17(21)11-20-9-13-5-2-3-6-14(13)10-20/h2-8H,9-11,18H2,1H3,(H,19,21)
InChIKeyYATDQBZSJANJMG-UHFFFAOYSA-N
XLogP2.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505272
N-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide
CID 102888500
N-(3-amino-2-methylphenyl)-2-(4-oxo-1-pyridinyl)acetamide
CID 62880154
N-(3-amino-2-methylphenyl)-2-indol-1-ylacetamide
CID 43247265
N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141857
N-(2-amino-5-chlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 62206390
N-(3-amino-2-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62851005
N-(3-amino-2-methylphenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 55078174
(3-amino-2-methylphenyl)urea
CID 16770559
N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919
N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 63312237
N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
CID 62125474

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide (CID 62206392) is N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide is Cc1c(N)cccc1NC(=O)CN1Cc2ccccc2C1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide?
The InChIKey is YATDQBZSJANJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-15(18)7-4-8-16(12)19-17(21)11-20-9-13-5-2-3-6-14(13)10-20/h2-8H,9-11,18H2,1H3,(H,19,21).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide?
N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide has a molecular weight of 281.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide is sourced from PubChem (CID 62206392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).