N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide

C21H22N2O3 — CID 2297002

IUPACN-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide
SMILESCC(=O)N(CCCCN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1
InChIInChI=1S/C21H22N2O3/c1-15-9-11-17(12-10-15)22(16(2)24)13-5-6-14-23-20(25)18-7-3-4-8-19(18)21(23)26/h3-4,7-12H,5-6,13-14H2,1-2H3
InChIKeyYSYZUYXQJQMANM-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.42
Rot. Bonds6

About N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide

N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide (PubChem CID 2297002) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide
PubChem CID2297002
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide
SMILESCC(=O)N(CCCCN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1
InChIInChI=1S/C21H22N2O3/c1-15-9-11-17(12-10-15)22(16(2)24)13-5-6-14-23-20(25)18-7-3-4-8-19(18)21(23)26/h3-4,7-12H,5-6,13-14H2,1-2H3
InChIKeyYSYZUYXQJQMANM-UHFFFAOYSA-N
XLogP3.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide (CID 2297002) is N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide is CC(=O)N(CCCCN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide?
The InChIKey is YSYZUYXQJQMANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-9-11-17(12-10-15)22(16(2)24)13-5-6-14-23-20(25)18-7-3-4-8-19(18)21(23)26/h3-4,7-12H,5-6,13-14H2,1-2H3.
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide?
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2297002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).