N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide

C13H15N3O3 — CID 103604422

IUPACN-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C13H15N3O3/c1-8(17)14-5-6-15-9-3-4-10-11(7-9)13(19)16(2)12(10)18/h3-4,7,15H,5-6H2,1-2H3,(H,14,17)
InChIKeyNEVCFUBNYHLKTK-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.46
Rot. Bonds4

About N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide

N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide (PubChem CID 103604422) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide
PubChem CID103604422
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C13H15N3O3/c1-8(17)14-5-6-15-9-3-4-10-11(7-9)13(19)16(2)12(10)18/h3-4,7,15H,5-6H2,1-2H3,(H,14,17)
InChIKeyNEVCFUBNYHLKTK-UHFFFAOYSA-N
XLogP0.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide (CID 103604422) is N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide is CC(=O)NCCNc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide?
The InChIKey is NEVCFUBNYHLKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(17)14-5-6-15-9-3-4-10-11(7-9)13(19)16(2)12(10)18/h3-4,7,15H,5-6H2,1-2H3,(H,14,17).
What are the key properties of N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide?
N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide has a molecular weight of 261.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide is sourced from PubChem (CID 103604422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).