1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea

C17H22N4O4 — CID 108874898

IUPAC1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)NCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H22N4O4/c22-15-13-3-1-2-4-14(13)16(23)21(15)8-6-19-17(24)18-5-7-20-9-11-25-12-10-20/h1-4H,5-12H2,(H2,18,19,24)
InChIKeyMIYRJPJOUPBFPQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.09
Rot. Bonds6

About 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 108874898) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID108874898
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)NCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H22N4O4/c22-15-13-3-1-2-4-14(13)16(23)21(15)8-6-19-17(24)18-5-7-20-9-11-25-12-10-20/h1-4H,5-12H2,(H2,18,19,24)
InChIKeyMIYRJPJOUPBFPQ-UHFFFAOYSA-N
XLogP-0.09
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108874905
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108874901
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(2-piperazin-1-ylethyl)urea
CID 108889439
N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 2987060
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
2-fluoren-9-ylidene-N-(2-morpholin-4-ylethyl)acetamide
CID 58938044
1-[2-(1H-indol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108988276
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea (CID 108874898) is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea is O=C(NCCN1CCOCC1)NCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is MIYRJPJOUPBFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c22-15-13-3-1-2-4-14(13)16(23)21(15)8-6-19-17(24)18-5-7-20-9-11-25-12-10-20/h1-4H,5-12H2,(H2,18,19,24).
What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea?
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 346.39 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 108874898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).