N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide

C19H19N3O3 — CID 58982081

IUPACN-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
SMILESNc1ccccc1NC(=O)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H19N3O3/c20-15-9-3-4-10-16(15)21-17(23)11-5-6-12-22-18(24)13-7-1-2-8-14(13)19(22)25/h1-4,7-10H,5-6,11-12,20H2,(H,21,23)
InChIKeyJDIVCOKGKCTSGM-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.67
Rot. Bonds6

About N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide

N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide (PubChem CID 58982081) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
PubChem CID58982081
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
SMILESNc1ccccc1NC(=O)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H19N3O3/c20-15-9-3-4-10-16(15)21-17(23)11-5-6-12-22-18(24)13-7-1-2-8-14(13)19(22)25/h1-4,7-10H,5-6,11-12,20H2,(H,21,23)
InChIKeyJDIVCOKGKCTSGM-UHFFFAOYSA-N
XLogP2.67
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide 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

5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
6-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-1H-pyridin-3-yl)hexanamide
CID 4018238
4-(1,3-dioxoisoindol-2-yl)-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 108933494
N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867517
4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide
CID 55677974
11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide
CID 3362630
4-(1,3-dioxoisoindol-2-yl)-N-(2-propoxyphenyl)butanamide
CID 8503422
N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 3354455
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
N-(2-aminophenyl)octadecanamide
CID 68839220
6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
CID 565136
N-(2-aminophenyl)-7-oxoheptanamide
CID 143955349

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide?
The IUPAC name of N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide (CID 58982081) is N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide.
What is the SMILES notation for N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide?
The canonical SMILES for N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide is Nc1ccccc1NC(=O)CCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide?
The InChIKey is JDIVCOKGKCTSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c20-15-9-3-4-10-16(15)21-17(23)11-5-6-12-22-18(24)13-7-1-2-8-14(13)19(22)25/h1-4,7-10H,5-6,11-12,20H2,(H,21,23).
What are the key properties of N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide?
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide has a molecular weight of 337.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide is sourced from PubChem (CID 58982081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).