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

C18H17N3O4 — CID 19259064

IUPAC1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H17N3O4/c1-25-13-8-6-12(7-9-13)20-18(24)19-10-11-21-16(22)14-4-2-3-5-15(14)17(21)23/h2-9H,10-11H2,1H3,(H2,19,20,24)
InChIKeyJXJZNTJNSCBBPM-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.11
Rot. Bonds5

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

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea (PubChem CID 19259064) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea
PubChem CID19259064
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H17N3O4/c1-25-13-8-6-12(7-9-13)20-18(24)19-10-11-21-16(22)14-4-2-3-5-15(14)17(21)23/h2-9H,10-11H2,1H3,(H2,19,20,24)
InChIKeyJXJZNTJNSCBBPM-UHFFFAOYSA-N
XLogP2.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoylamino]benzoate
CID 108874981
3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate
CID 4192304
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(9-oxofluoren-2-yl)urea
CID 19259078
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108889568
methyl 2-[2-(1,3-dioxoisoindol-2-yl)ethylcarbamoylamino]benzoate
CID 108874874
1-(3-chloro-4-fluorophenyl)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108875010
1-(2,6-diethylphenyl)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]urea
CID 108874868
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
1-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-3-phenylurea
CID 113082169
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 42922369
1-(3,3-dimethylbutyl)-3-(4-methoxyphenyl)urea
CID 21361439

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea (CID 19259064) is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NCCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea?
The InChIKey is JXJZNTJNSCBBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-25-13-8-6-12(7-9-13)20-18(24)19-10-11-21-16(22)14-4-2-3-5-15(14)17(21)23/h2-9H,10-11H2,1H3,(H2,19,20,24).
What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea?
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea has a molecular weight of 339.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 19259064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).