N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide

C11H19N3O3 — CID 114167202

IUPACN,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide
SMILESCNC(=O)C(C)(C)CNC1CC(=O)N(C)C1=O
InChIInChI=1S/C11H19N3O3/c1-11(2,10(17)12-3)6-13-7-5-8(15)14(4)9(7)16/h7,13H,5-6H2,1-4H3,(H,12,17)
InChIKeyRVGMKPCFUUFOCB-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.89
Rot. Bonds4

About N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide

N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide (PubChem CID 114167202) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide
PubChem CID114167202
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide
SMILESCNC(=O)C(C)(C)CNC1CC(=O)N(C)C1=O
InChIInChI=1S/C11H19N3O3/c1-11(2,10(17)12-3)6-13-7-5-8(15)14(4)9(7)16/h7,13H,5-6H2,1-4H3,(H,12,17)
InChIKeyRVGMKPCFUUFOCB-UHFFFAOYSA-N
XLogP-0.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide (CID 114167202) is N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide is CNC(=O)C(C)(C)CNC1CC(=O)N(C)C1=O.
What is the InChIKey of N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide?
The InChIKey is RVGMKPCFUUFOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(2,10(17)12-3)6-13-7-5-8(15)14(4)9(7)16/h7,13H,5-6H2,1-4H3,(H,12,17).
What are the key properties of N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide?
N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide has a molecular weight of 241.29 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide is sourced from PubChem (CID 114167202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).