4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide

C15H18N2O4 — CID 19174379

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H18N2O4/c1-21-10-8-16-13(18)7-4-9-17-14(19)11-5-2-3-6-12(11)15(17)20/h2-3,5-6H,4,7-10H2,1H3,(H,16,18)
InChIKeyDJYRHMDLWUDNFE-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.83
Rot. Bonds7

About 4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide

4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide (PubChem CID 19174379) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
PubChem CID19174379
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
SMILESCOCCNC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H18N2O4/c1-21-10-8-16-13(18)7-4-9-17-14(19)11-5-2-3-6-12(11)15(17)20/h2-3,5-6H,4,7-10H2,1H3,(H,16,18)
InChIKeyDJYRHMDLWUDNFE-UHFFFAOYSA-N
XLogP0.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methoxypropanoylamino)ethyl]butanamide
CID 108542668
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide
CID 110417982
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea
CID 108889356
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
4-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108538869
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide
CID 108537858
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methoxybutyl)butanamide
CID 55724619
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574012
tert-butyl 3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]propanoate
CID 139517006
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-(methylamino)butanamide
CID 119783914
N-[2-(2-chloropropanoylamino)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108574020
N-(2-methoxyethyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide
CID 19174378

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide (CID 19174379) is 4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide is COCCNC(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide?
The InChIKey is DJYRHMDLWUDNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-21-10-8-16-13(18)7-4-9-17-14(19)11-5-2-3-6-12(11)15(17)20/h2-3,5-6H,4,7-10H2,1H3,(H,16,18).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide has a molecular weight of 290.32 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 19174379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).