2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide

C15H18N2O3 — CID 110732693

IUPAC2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C15H18N2O3/c1-4-9(5-2)13(18)16-10-6-7-11-12(8-10)15(20)17(3)14(11)19/h6-9H,4-5H2,1-3H3,(H,16,18)
InChIKeyCIJOVMYSROMWFZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.29
Rot. Bonds4

About 2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide

2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide (PubChem CID 110732693) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide
PubChem CID110732693
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C15H18N2O3/c1-4-9(5-2)13(18)16-10-6-7-11-12(8-10)15(20)17(3)14(11)19/h6-9H,4-5H2,1-3H3,(H,16,18)
InChIKeyCIJOVMYSROMWFZ-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.29
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

3-chloro-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 62728074
1-ethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 24664343
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
(2S)-2-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-methylsulfanylbutanamide
CID 61148066
3-amino-3-hydroxyimino-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 76925740
2-ethyl-N-[7-(2-ethylbutanoylamino)-9H-fluoren-2-yl]butanamide
CID 9320374
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 18070369
N-ethyl-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide
CID 43088889
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide
CID 55943302
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide
CID 110732701
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
2-(4-fluorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 55811495

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide?
The IUPAC name of 2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide (CID 110732693) is 2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide?
The canonical SMILES for 2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide is CCC(CC)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide?
The InChIKey is CIJOVMYSROMWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-9(5-2)13(18)16-10-6-7-11-12(8-10)15(20)17(3)14(11)19/h6-9H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide?
2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide has a molecular weight of 274.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide is sourced from PubChem (CID 110732693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).