N-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide

C14H24N2O4 — CID 166802488

IUPACN-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCOCCNC(=O)C(C)(C)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C14H24N2O4/c1-10-9-11(17)16(12(10)18)7-5-14(2,3)13(19)15-6-8-20-4/h10H,5-9H2,1-4H3,(H,15,19)
InChIKeyPBQAWLUPVDKEHS-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.56
Rot. Bonds7

About N-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide

N-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide (PubChem CID 166802488) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide
PubChem CID166802488
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC NameN-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCOCCNC(=O)C(C)(C)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C14H24N2O4/c1-10-9-11(17)16(12(10)18)7-5-14(2,3)13(19)15-6-8-20-4/h10H,5-9H2,1-4H3,(H,15,19)
InChIKeyPBQAWLUPVDKEHS-UHFFFAOYSA-N
XLogP0.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
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-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide (CID 166802488) is N-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide is COCCNC(=O)C(C)(C)CCN1C(=O)CC(C)C1=O.
What is the InChIKey of N-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide?
The InChIKey is PBQAWLUPVDKEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10-9-11(17)16(12(10)18)7-5-14(2,3)13(19)15-6-8-20-4/h10H,5-9H2,1-4H3,(H,15,19).
What are the key properties of N-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide?
N-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide has a molecular weight of 284.36 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 166802488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).