1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane

C15H20N2O3 — CID 145140796

IUPAC1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane
SMILESCC(C)N1C(=O)c2ccc(C(N)=O)cc2C1=O.CCC
InChIInChI=1S/C12H12N2O3.C3H8/c1-6(2)14-11(16)8-4-3-7(10(13)15)5-9(8)12(14)17;1-3-2/h3-6H,1-2H3,(H2,13,15);3H2,1-2H3
InChIKeyVNHCQCMPGUZFOM-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.21
Rot. Bonds2

About 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane

1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane (PubChem CID 145140796) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane.

Molecular Properties

Compound Name1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane
PubChem CID145140796
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane
SMILESCC(C)N1C(=O)c2ccc(C(N)=O)cc2C1=O.CCC
InChIInChI=1S/C12H12N2O3.C3H8/c1-6(2)14-11(16)8-4-3-7(10(13)15)5-9(8)12(14)17;1-3-2/h3-6H,1-2H3,(H2,13,15);3H2,1-2H3
InChIKeyVNHCQCMPGUZFOM-UHFFFAOYSA-N
XLogP2.21
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 82041242
N-(2-acetamidoethyl)-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108571800
2-(1-ethoxy-1-oxopropan-2-yl)-1,3-dioxoisoindole-5-carboxylic acid
CID 61498776
ethyl 4-[4-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperazin-1-yl]-4-oxobutanoate
CID 108568210
2-methylpropyl 4-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperazine-1-carboxylate
CID 108568215
[4-[4-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperazine-1-carbonyl]phenyl] ethyl carbonate
CID 108929534
[4-[[3-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108930771
N-[2-[(3-hydroxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108540233
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108537808
5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-2-propan-2-ylisoindole-1,3-dione
CID 108533723
2-[(1R)-2-(4-carbamoylphenyl)-1-carboxyethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 16752649
3-[4-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperazin-1-yl]-3-oxopropanenitrile
CID 108533025

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane?
The IUPAC name of 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane (CID 145140796) is 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane.
What is the SMILES notation for 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane?
The canonical SMILES for 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane is CC(C)N1C(=O)c2ccc(C(N)=O)cc2C1=O.CCC.
What is the InChIKey of 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane?
The InChIKey is VNHCQCMPGUZFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3.C3H8/c1-6(2)14-11(16)8-4-3-7(10(13)15)5-9(8)12(14)17;1-3-2/h3-6H,1-2H3,(H2,13,15);3H2,1-2H3.
What are the key properties of 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane?
1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane has a molecular weight of 276.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane is sourced from PubChem (CID 145140796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).