3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide

C16H20N2O4 — CID 110417982

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide
SMILESCOCCCCNC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H20N2O4/c1-22-11-5-4-9-17-14(19)8-10-18-15(20)12-6-2-3-7-13(12)16(18)21/h2-3,6-7H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyAEFFUFPBGFYVTM-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.22
Rot. Bonds8

About 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide

3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide (PubChem CID 110417982) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide
PubChem CID110417982
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide
SMILESCOCCCCNC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H20N2O4/c1-22-11-5-4-9-17-14(19)8-10-18-15(20)12-6-2-3-7-13(12)16(18)21/h2-3,6-7H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyAEFFUFPBGFYVTM-UHFFFAOYSA-N
XLogP1.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.22
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-methoxyethyl)butanamide
CID 19174379
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methoxypropanoylamino)ethyl]butanamide
CID 108542668
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methoxybutyl)butanamide
CID 55724619
5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]pentanoic acid
CID 119234174
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane
CID 158981138
3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide
CID 119323792
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-2,6-dimethoxybenzamide
CID 108538742
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea
CID 108889356
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-(methylamino)butanamide
CID 119783914
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide
CID 120562654
3-(1,3-dioxoisoindol-2-yl)-N-[2-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyldisulfanyl]ethyl]propanamide
CID 56842591

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide (CID 110417982) is 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide is COCCCCNC(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide?
The InChIKey is AEFFUFPBGFYVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-22-11-5-4-9-17-14(19)8-10-18-15(20)12-6-2-3-7-13(12)16(18)21/h2-3,6-7H,4-5,8-11H2,1H3,(H,17,19).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide has a molecular weight of 304.35 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxybutyl)propanamide is sourced from PubChem (CID 110417982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).