(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide

C21H21N3O4 — CID 7940676

IUPAC(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1N1CCOCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H21N3O4/c1-14(24-20(26)15-6-2-3-7-16(15)21(24)27)19(25)22-17-8-4-5-9-18(17)23-10-12-28-13-11-23/h2-9,14H,10-13H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyUEKZIQVMMMULJY-AWEZNQCLSA-N
MW379.42 g/mol
LogP2.15
Rot. Bonds4

About (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide (PubChem CID 7940676) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide
PubChem CID7940676
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1N1CCOCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H21N3O4/c1-14(24-20(26)15-6-2-3-7-16(15)21(24)27)19(25)22-17-8-4-5-9-18(17)23-10-12-28-13-11-23/h2-9,14H,10-13H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyUEKZIQVMMMULJY-AWEZNQCLSA-N
XLogP2.15
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)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

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 39911850
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55363833
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
(2S)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 41056650
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
CID 107903089
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
2-(1,3-dioxoisoindol-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3340504
(2S)-2-amino-N-(2-morpholin-4-ylphenyl)-2-phenylacetamide
CID 22691745
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
1-(2-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992097

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide (CID 7940676) is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide is C[C@@H](C(=O)Nc1ccccc1N1CCOCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide?
The InChIKey is UEKZIQVMMMULJY-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14(24-20(26)15-6-2-3-7-16(15)21(24)27)19(25)22-17-8-4-5-9-18(17)23-10-12-28-13-11-23/h2-9,14H,10-13H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide?
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide has a molecular weight of 379.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 7940676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).