2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide

C19H23N3O — CID 119869989

IUPAC2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
SMILESCCCN1Cc2cccc(NC(=O)Cc3ccc(N)cc3)c2C1
InChIInChI=1S/C19H23N3O/c1-2-10-22-12-15-4-3-5-18(17(15)13-22)21-19(23)11-14-6-8-16(20)9-7-14/h3-9H,2,10-13,20H2,1H3,(H,21,23)
InChIKeyRQWLDQCSFDOHSG-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.18
Rot. Bonds5

About 2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide

2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide (PubChem CID 119869989) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
PubChem CID119869989
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
SMILESCCCN1Cc2cccc(NC(=O)Cc3ccc(N)cc3)c2C1
InChIInChI=1S/C19H23N3O/c1-2-10-22-12-15-4-3-5-18(17(15)13-22)21-19(23)11-14-6-8-16(20)9-7-14/h3-9H,2,10-13,20H2,1H3,(H,21,23)
InChIKeyRQWLDQCSFDOHSG-UHFFFAOYSA-N
XLogP3.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide 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

2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 166186487
5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride
CID 120645756
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119109727
2-[1-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]cyclohexyl]acetic acid
CID 119109721
3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
CID 167889310
2-(4-aminophenyl)-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 119871528
N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide
CID 110478696
2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 54795789
N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide
CID 119869983
2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
CID 119842058
N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 119736029
2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54795746

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide (CID 119869989) is 2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide is CCCN1Cc2cccc(NC(=O)Cc3ccc(N)cc3)c2C1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide?
The InChIKey is RQWLDQCSFDOHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-10-22-12-15-4-3-5-18(17(15)13-22)21-19(23)11-14-6-8-16(20)9-7-14/h3-9H,2,10-13,20H2,1H3,(H,21,23).
What are the key properties of 2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide?
2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide has a molecular weight of 309.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide is sourced from PubChem (CID 119869989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).