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

C18H25N3O5 — CID 108889531

IUPAC3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H25N3O5/c1-25-12-10-20(11-13-26-2)18(24)19-8-5-9-21-16(22)14-6-3-4-7-15(14)17(21)23/h3-4,6-7H,5,8-13H2,1-2H3,(H,19,24)
InChIKeyZZHDDEVZJGSPDV-UHFFFAOYSA-N
MW363.41 g/mol
LogP0.98
Rot. Bonds10

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

3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea (PubChem CID 108889531) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea
PubChem CID108889531
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H25N3O5/c1-25-12-10-20(11-13-26-2)18(24)19-8-5-9-21-16(22)14-6-3-4-7-15(14)17(21)23/h3-4,6-7H,5,8-13H2,1-2H3,(H,19,24)
InChIKeyZZHDDEVZJGSPDV-UHFFFAOYSA-N
XLogP0.98
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-methoxyethyl)urea
CID 108889356
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
CID 19174379
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
ethyl N-(2-aminoethyl)-N-[3-(1,3-dioxoisoindol-2-yl)propylcarbamoyl]carbamate
CID 108889674
N-[2-(diethylcarbamoylamino)ethyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108571981
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108889568
1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea
CID 108889348
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
3-[(1,3-dioxoisoindol-2-yl)methyl]-1,1-dipropylurea
CID 19258991
2-[4-(1-methoxypropan-2-ylamino)butyl]isoindole-1,3-dione
CID 119159724

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea (CID 108889531) is 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)NCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea?
The InChIKey is ZZHDDEVZJGSPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-25-12-10-20(11-13-26-2)18(24)19-8-5-9-21-16(22)14-6-3-4-7-15(14)17(21)23/h3-4,6-7H,5,8-13H2,1-2H3,(H,19,24).
What are the key properties of 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea?
3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea has a molecular weight of 363.41 g/mol, XLogP of 0.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 108889531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).