N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide

C15H19N3O3 — CID 19165323

IUPACN-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)NCCN(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H19N3O3/c1-10(13(19)16-8-9-17(2)3)18-14(20)11-6-4-5-7-12(11)15(18)21/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyARAPWEBGKAJFBP-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.35
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide

N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 19165323) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID19165323
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C(=O)NCCN(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H19N3O3/c1-10(13(19)16-8-9-17(2)3)18-14(20)11-6-4-5-7-12(11)15(18)21/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyARAPWEBGKAJFBP-UHFFFAOYSA-N
XLogP0.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(2-naphthalen-1-ylethyl)propanamide
CID 2920554
4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide
CID 108540337
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-methoxyacetyl)amino]ethyl]propanamide
CID 108540329
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-4-methylbenzamide
CID 108537941
2-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethoxy]propanoic acid
CID 110495187
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
(2R)-N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2495850
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51417174
2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 2926881
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 8003176
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 108538910
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]propanamide
CID 108540316

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 19165323) is N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is CC(C(=O)NCCN(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is ARAPWEBGKAJFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(13(19)16-8-9-17(2)3)18-14(20)11-6-4-5-7-12(11)15(18)21/h4-7,10H,8-9H2,1-3H3,(H,16,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 289.33 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 19165323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).