2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide

C14H15N3O3 — CID 115579378

IUPAC2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C14H15N3O3/c1-7(12(18)16-9-3-4-9)17-13(19)10-5-2-8(15)6-11(10)14(17)20/h2,5-7,9H,3-4,15H2,1H3,(H,16,18)
InChIKeyAQDZVPJQEUPRHU-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.53
Rot. Bonds3

About 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide

2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide (PubChem CID 115579378) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
PubChem CID115579378
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1C(=O)c2ccc(N)cc2C1=O
InChIInChI=1S/C14H15N3O3/c1-7(12(18)16-9-3-4-9)17-13(19)10-5-2-8(15)6-11(10)14(17)20/h2,5-7,9H,3-4,15H2,1H3,(H,16,18)
InChIKeyAQDZVPJQEUPRHU-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)-N-cyclopropylpropanamide
CID 115569478
(2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 7610446
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 55877600
2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide
CID 103111205
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
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 55375265
N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108551631
N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108560252
(2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide
CID 94614584
N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119590379
2,2-dichloro-N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]acetamide
CID 108564460

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide?
The IUPAC name of 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide (CID 115579378) is 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1C(=O)c2ccc(N)cc2C1=O.
What is the InChIKey of 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide?
The InChIKey is AQDZVPJQEUPRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-7(12(18)16-9-3-4-9)17-13(19)10-5-2-8(15)6-11(10)14(17)20/h2,5-7,9H,3-4,15H2,1H3,(H,16,18).
What are the key properties of 2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide?
2-(5-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-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide is sourced from PubChem (CID 115579378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).