2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide

C20H20N2O5 — CID 84562879

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide
SMILESCc1ccccc1OCC(O)CNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O5/c1-13-6-2-5-9-17(13)27-12-14(23)10-21-18(24)11-22-19(25)15-7-3-4-8-16(15)20(22)26/h2-9,14,23H,10-12H2,1H3,(H,21,24)
InChIKeySQTDJGOKWFRYFQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.15
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide (PubChem CID 84562879) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide
PubChem CID84562879
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide
SMILESCc1ccccc1OCC(O)CNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O5/c1-13-6-2-5-9-17(13)27-12-14(23)10-21-18(24)11-22-19(25)15-7-3-4-8-16(15)20(22)26/h2-9,14,23H,10-12H2,1H3,(H,21,24)
InChIKeySQTDJGOKWFRYFQ-UHFFFAOYSA-N
XLogP1.15
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.15
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

(2-methylphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
CID 110670277
N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide
CID 84564095
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-(4-methylphenyl)propanamide
CID 84568972
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-2-methylbenzamide
CID 84562345
2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione
CID 10359060
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2-methylpropanoic acid
CID 53215786
4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide
CID 84567072
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide
CID 84564084
N-(2,6-dimethylphenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetamide
CID 7535563
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide (CID 84562879) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide is Cc1ccccc1OCC(O)CNC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide?
The InChIKey is SQTDJGOKWFRYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-13-6-2-5-9-17(13)27-12-14(23)10-21-18(24)11-22-19(25)15-7-3-4-8-16(15)20(22)26/h2-9,14,23H,10-12H2,1H3,(H,21,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide has a molecular weight of 368.39 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide is sourced from PubChem (CID 84562879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).