2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide

C17H22N2O4 — CID 39710283

IUPAC2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)NCCCOC(C)C)C2=O
InChIInChI=1S/C17H22N2O4/c1-11(2)23-8-4-7-18-15(20)10-19-16(21)13-6-5-12(3)9-14(13)17(19)22/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,18,20)
InChIKeyZEYSZWGIZDOHFB-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.52
Rot. Bonds7

About 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 39710283) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID39710283
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)NCCCOC(C)C)C2=O
InChIInChI=1S/C17H22N2O4/c1-11(2)23-8-4-7-18-15(20)10-19-16(21)13-6-5-12(3)9-14(13)17(19)22/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,18,20)
InChIKeyZEYSZWGIZDOHFB-UHFFFAOYSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119234321
N-(3-ethoxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 27680688
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-phenylsulfanylethyl)acetamide
CID 26444764
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 5099385
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
2-benzyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 31306194
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8997912
(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119364791
N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 119640987
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446180
2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 4171539
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 39710283) is 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide is Cc1ccc2c(c1)C(=O)N(CC(=O)NCCCOC(C)C)C2=O.
What is the InChIKey of 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is ZEYSZWGIZDOHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11(2)23-8-4-7-18-15(20)10-19-16(21)13-6-5-12(3)9-14(13)17(19)22/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,18,20).
What are the key properties of 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 318.37 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 39710283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).