N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide

C17H19N3O — CID 62206919

IUPACN-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
SMILESNc1ccccc1NC(=O)CCN1Cc2ccccc2C1
InChIInChI=1S/C17H19N3O/c18-15-7-3-4-8-16(15)19-17(21)9-10-20-11-13-5-1-2-6-14(13)12-20/h1-8H,9-12,18H2,(H,19,21)
InChIKeyFVNWOOAGFGUXDO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.61
Rot. Bonds4

About N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide

N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide (PubChem CID 62206919) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
PubChem CID62206919
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
SMILESNc1ccccc1NC(=O)CCN1Cc2ccccc2C1
InChIInChI=1S/C17H19N3O/c18-15-7-3-4-8-16(15)19-17(21)9-10-20-11-13-5-1-2-6-14(13)12-20/h1-8H,9-12,18H2,(H,19,21)
InChIKeyFVNWOOAGFGUXDO-UHFFFAOYSA-N
XLogP2.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.61
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

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1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide (CID 62206919) is N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide is Nc1ccccc1NC(=O)CCN1Cc2ccccc2C1.
What is the InChIKey of N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide?
The InChIKey is FVNWOOAGFGUXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-15-7-3-4-8-16(15)19-17(21)9-10-20-11-13-5-1-2-6-14(13)12-20/h1-8H,9-12,18H2,(H,19,21).
What are the key properties of N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide?
N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide has a molecular weight of 281.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide is sourced from PubChem (CID 62206919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).