2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide

C21H27N3O3 — CID 136524208

IUPAC2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide
SMILESCC(C(=O)NC1CCN(c2ccccc2)C1)N1C(=O)C2CCCCC2C1=O
InChIInChI=1S/C21H27N3O3/c1-14(24-20(26)17-9-5-6-10-18(17)21(24)27)19(25)22-15-11-12-23(13-15)16-7-3-2-4-8-16/h2-4,7-8,14-15,17-18H,5-6,9-13H2,1H3,(H,22,25)
InChIKeyAHHMUQCSAVJBGZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.95
Rot. Bonds4

About 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide (PubChem CID 136524208) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide
PubChem CID136524208
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide
SMILESCC(C(=O)NC1CCN(c2ccccc2)C1)N1C(=O)C2CCCCC2C1=O
InChIInChI=1S/C21H27N3O3/c1-14(24-20(26)17-9-5-6-10-18(17)21(24)27)19(25)22-15-11-12-23(13-15)16-7-3-2-4-8-16/h2-4,7-8,14-15,17-18H,5-6,9-13H2,1H3,(H,22,25)
InChIKeyAHHMUQCSAVJBGZ-UHFFFAOYSA-N
XLogP1.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide 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-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(3,3-diphenylpropyl)propanamide
CID 112791234
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride
CID 120504040
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 11917772
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685
(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-ethoxyphenyl)propanamide
CID 87040089
(2S)-N-cyclohexyl-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]propanamide
CID 98304488

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide?
The IUPAC name of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide (CID 136524208) is 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide is CC(C(=O)NC1CCN(c2ccccc2)C1)N1C(=O)C2CCCCC2C1=O.
What is the InChIKey of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide?
The InChIKey is AHHMUQCSAVJBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14(24-20(26)17-9-5-6-10-18(17)21(24)27)19(25)22-15-11-12-23(13-15)16-7-3-2-4-8-16/h2-4,7-8,14-15,17-18H,5-6,9-13H2,1H3,(H,22,25).
What are the key properties of 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide?
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide has a molecular weight of 369.47 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-phenylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 136524208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).