4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide

C19H23N3O5 — CID 110347790

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
SMILESC[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)N1CCOCC1
InChIInChI=1S/C19H23N3O5/c1-13(17(24)21-9-11-27-12-10-21)20-16(23)7-4-8-22-18(25)14-5-2-3-6-15(14)19(22)26/h2-3,5-6,13H,4,7-12H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyKJFBAZFQIQIRSM-ZDUSSCGKSA-N
MW373.41 g/mol
LogP0.43
Rot. Bonds6

About 4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide (PubChem CID 110347790) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
PubChem CID110347790
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
SMILESC[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)N1CCOCC1
InChIInChI=1S/C19H23N3O5/c1-13(17(24)21-9-11-27-12-10-21)20-16(23)7-4-8-22-18(25)14-5-2-3-6-15(14)19(22)26/h2-3,5-6,13H,4,7-12H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyKJFBAZFQIQIRSM-ZDUSSCGKSA-N
XLogP0.43
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide 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-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
CID 3620620
methyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]propanoate
CID 19166825
3-amino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 112700894
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 55723105
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
2-anilino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
CID 115673259
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347736
(2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363317
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52521199
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide
CID 110407023
N-[1-(1-adamantyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4810854
3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide
CID 110351376

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide (CID 110347790) is 4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide is C[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)N1CCOCC1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide?
The InChIKey is KJFBAZFQIQIRSM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-13(17(24)21-9-11-27-12-10-21)20-16(23)7-4-8-22-18(25)14-5-2-3-6-15(14)19(22)26/h2-3,5-6,13H,4,7-12H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide has a molecular weight of 373.41 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 110347790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).