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

C14H15N3O4 — CID 110756132

IUPACN-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(=O)NCCNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H15N3O4/c1-9(18)15-6-7-16-12(19)8-17-13(20)10-4-2-3-5-11(10)14(17)21/h2-5H,6-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyVINOIFAOBBFUKK-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.47
Rot. Bonds5

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

N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 110756132) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID110756132
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCC(=O)NCCNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H15N3O4/c1-9(18)15-6-7-16-12(19)8-17-13(20)10-4-2-3-5-11(10)14(17)21/h2-5H,6-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyVINOIFAOBBFUKK-UHFFFAOYSA-N
XLogP-0.47
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.47
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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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502774
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide
CID 108537946
N-(2-acetamidophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 973448
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 10469585
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-ethylacetamide
CID 9017553
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9017561
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
CID 26776141
2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetyl]amino]acetic acid
CID 3022943

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 110756132) is N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is CC(=O)NCCNC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is VINOIFAOBBFUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9(18)15-6-7-16-12(19)8-17-13(20)10-4-2-3-5-11(10)14(17)21/h2-5H,6-8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 289.29 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 110756132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).