2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide

C19H18N2O3 — CID 4828663

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-13(14-7-3-2-4-8-14)11-20-17(22)12-21-18(23)15-9-5-6-10-16(15)19(21)24/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyUPMXIDRDRNZFHX-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.20
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide (PubChem CID 4828663) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
PubChem CID4828663
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-13(14-7-3-2-4-8-14)11-20-17(22)12-21-18(23)15-9-5-6-10-16(15)19(21)24/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyUPMXIDRDRNZFHX-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-2-methylpropanoic acid
CID 53215786
N-[(2S)-2-phenylpropyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 8708927
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9017561
2-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide
CID 8798907
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide
CID 7164190
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7609905
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7496142
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 90581492
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 8597541

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide (CID 4828663) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide is CC(CNC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide?
The InChIKey is UPMXIDRDRNZFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13(14-7-3-2-4-8-14)11-20-17(22)12-21-18(23)15-9-5-6-10-16(15)19(21)24/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide has a molecular weight of 322.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 4828663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).