2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide

C18H24N4O4 — CID 144975528

IUPAC2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide
SMILESCN(CCN)CC(=O)NC1CCC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C18H24N4O4/c1-21(10-9-19)12-16(24)20-14-7-8-17(25)22(18(14)26)11-15(23)13-5-3-2-4-6-13/h2-6,14H,7-12,19H2,1H3,(H,20,24)
InChIKeySOMOYMKOGPQQLH-UHFFFAOYSA-N
MW360.41 g/mol
LogP-0.61
Rot. Bonds8

About 2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide

2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide (PubChem CID 144975528) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide
PubChem CID144975528
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide
SMILESCN(CCN)CC(=O)NC1CCC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C18H24N4O4/c1-21(10-9-19)12-16(24)20-14-7-8-17(25)22(18(14)26)11-15(23)13-5-3-2-4-6-13/h2-6,14H,7-12,19H2,1H3,(H,20,24)
InChIKeySOMOYMKOGPQQLH-UHFFFAOYSA-N
XLogP-0.61
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide (CID 144975528) is 2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide is CN(CCN)CC(=O)NC1CCC(=O)N(CC(=O)c2ccccc2)C1=O.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide?
The InChIKey is SOMOYMKOGPQQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-21(10-9-19)12-16(24)20-14-7-8-17(25)22(18(14)26)11-15(23)13-5-3-2-4-6-13/h2-6,14H,7-12,19H2,1H3,(H,20,24).
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide?
2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide has a molecular weight of 360.41 g/mol, XLogP of -0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide is sourced from PubChem (CID 144975528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).