2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide

C14H15N3O3 — CID 115569478

IUPAC2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C14H15N3O3/c1-7(12(18)16-8-5-6-8)17-13(19)9-3-2-4-10(15)11(9)14(17)20/h2-4,7-8H,5-6,15H2,1H3,(H,16,18)
InChIKeyDATJHGDOCXUEDD-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.53
Rot. Bonds3

About 2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide

2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide (PubChem CID 115569478) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
PubChem CID115569478
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C14H15N3O3/c1-7(12(18)16-8-5-6-8)17-13(19)9-3-2-4-10(15)11(9)14(17)20/h2-4,7-8H,5-6,15H2,1H3,(H,16,18)
InChIKeyDATJHGDOCXUEDD-UHFFFAOYSA-N
XLogP0.53
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-1,3-dioxoisoindol-2-yl)propanamide
CID 43421958
2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
CID 115579378
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate
CID 25473450
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate
CID 26536679
4-amino-2-[1-(1-methylpiperidin-4-yl)ethyl]isoindole-1,3-dione
CID 43682453
2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-oxopentanoyl)piperidin-4-yl]propanamide
CID 108551680
2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide
CID 108551682
N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108551631
(2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 7610446
N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108560252
4-amino-2-pentan-2-ylisoindole-1,3-dione
CID 22492374

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide?
The IUPAC name of 2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide (CID 115569478) is 2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1C(=O)c2cccc(N)c2C1=O.
What is the InChIKey of 2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide?
The InChIKey is DATJHGDOCXUEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-7(12(18)16-8-5-6-8)17-13(19)9-3-2-4-10(15)11(9)14(17)20/h2-4,7-8H,5-6,15H2,1H3,(H,16,18).
What are the key properties of 2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide?
2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide has a molecular weight of 273.29 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide is sourced from PubChem (CID 115569478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).