N-(2-ethoxyethyl)-3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide

C12H21N3O4 — CID 58841255

IUPACN-(2-ethoxyethyl)-3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide
SMILESCCOCCNC(=O)CCN1C(=O)CC(NC)C1=O
InChIInChI=1S/C12H21N3O4/c1-3-19-7-5-14-10(16)4-6-15-11(17)8-9(13-2)12(15)18/h9,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyNKSCHVFAHJCWSE-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.12
Rot. Bonds8

About N-(2-ethoxyethyl)-3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide

N-(2-ethoxyethyl)-3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide (PubChem CID 58841255) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide
PubChem CID58841255
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC NameN-(2-ethoxyethyl)-3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide
SMILESCCOCCNC(=O)CCN1C(=O)CC(NC)C1=O
InChIInChI=1S/C12H21N3O4/c1-3-19-7-5-14-10(16)4-6-15-11(17)8-9(13-2)12(15)18/h9,13H,3-8H2,1-2H3,(H,14,16)
InChIKeyNKSCHVFAHJCWSE-UHFFFAOYSA-N
XLogP-1.12
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-ethoxyethyl)-3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2-ethoxyethyl)-3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide (CID 58841255) is N-(2-ethoxyethyl)-3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2-ethoxyethyl)-3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2-ethoxyethyl)-3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide is CCOCCNC(=O)CCN1C(=O)CC(NC)C1=O.
What is the InChIKey of N-(2-ethoxyethyl)-3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide?
The InChIKey is NKSCHVFAHJCWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-19-7-5-14-10(16)4-6-15-11(17)8-9(13-2)12(15)18/h9,13H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-(2-ethoxyethyl)-3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide?
N-(2-ethoxyethyl)-3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide has a molecular weight of 271.32 g/mol, XLogP of -1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 58841255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).