1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea

C15H19N3O4 — CID 108889356

IUPAC1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H19N3O4/c1-22-10-8-17-15(21)16-7-4-9-18-13(19)11-5-2-3-6-12(11)14(18)20/h2-3,5-6H,4,7-10H2,1H3,(H2,16,17,21)
InChIKeyGWBVEMQFVDFMNE-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.62
Rot. Bonds7

About 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea

1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea (PubChem CID 108889356) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea
PubChem CID108889356
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H19N3O4/c1-22-10-8-17-15(21)16-7-4-9-18-13(19)11-5-2-3-6-12(11)14(18)20/h2-3,5-6H,4,7-10H2,1H3,(H2,16,17,21)
InChIKeyGWBVEMQFVDFMNE-UHFFFAOYSA-N
XLogP0.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
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
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108889568
3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea
CID 108889531
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
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
6-[3-(1,3-dioxoisoindol-2-yl)propylcarbamoylamino]hexanoic acid
CID 108889388
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
1-[(2-chlorophenyl)methyl]-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889363
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(1-phenylethyl)urea
CID 108889374
1-benzhydryl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889375
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-piperazin-1-ylethyl)urea
CID 108889439

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea (CID 108889356) is 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea?
The InChIKey is GWBVEMQFVDFMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-22-10-8-17-15(21)16-7-4-9-18-13(19)11-5-2-3-6-12(11)14(18)20/h2-3,5-6H,4,7-10H2,1H3,(H2,16,17,21).
What are the key properties of 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea?
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea has a molecular weight of 305.33 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 108889356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).