2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide

C20H28N2O3 — CID 112817708

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide
SMILESCCN(CC(C)C)C(=O)C(CC(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H28N2O3/c1-6-21(12-14(4)5)20(25)17(11-13(2)3)22-18(23)15-9-7-8-10-16(15)19(22)24/h7-10,13-14,17H,6,11-12H2,1-5H3
InChIKeyHFMLYAWEHUOIRP-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.20
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide

2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide (PubChem CID 112817708) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide
PubChem CID112817708
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide
SMILESCCN(CC(C)C)C(=O)C(CC(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H28N2O3/c1-6-21(12-14(4)5)20(25)17(11-13(2)3)22-18(23)15-9-7-8-10-16(15)19(22)24/h7-10,13-14,17H,6,11-12H2,1-5H3
InChIKeyHFMLYAWEHUOIRP-UHFFFAOYSA-N
XLogP3.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide (CID 112817708) is 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide is CCN(CC(C)C)C(=O)C(CC(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide?
The InChIKey is HFMLYAWEHUOIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-6-21(12-14(4)5)20(25)17(11-13(2)3)22-18(23)15-9-7-8-10-16(15)19(22)24/h7-10,13-14,17H,6,11-12H2,1-5H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide?
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide has a molecular weight of 344.46 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 112817708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).