4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide

C18H32N2O3 — CID 177369406

IUPAC4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(C)(C)C(C)(C)CN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C18H32N2O3/c1-11(2)13-9-14(21)20(15(13)22)10-17(5,6)18(7,8)16(23)19-12(3)4/h11-13H,9-10H2,1-8H3,(H,19,23)
InChIKeyQLJIFRWOWVKPBD-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.59
Rot. Bonds6

About 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide

4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide (PubChem CID 177369406) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide
PubChem CID177369406
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(C)(C)C(C)(C)CN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C18H32N2O3/c1-11(2)13-9-14(21)20(15(13)22)10-17(5,6)18(7,8)16(23)19-12(3)4/h11-13H,9-10H2,1-8H3,(H,19,23)
InChIKeyQLJIFRWOWVKPBD-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide?
The IUPAC name of 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide (CID 177369406) is 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide is CC(C)NC(=O)C(C)(C)C(C)(C)CN1C(=O)CC(C(C)C)C1=O.
What is the InChIKey of 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide?
The InChIKey is QLJIFRWOWVKPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-11(2)13-9-14(21)20(15(13)22)10-17(5,6)18(7,8)16(23)19-12(3)4/h11-13H,9-10H2,1-8H3,(H,19,23).
What are the key properties of 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide?
4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide has a molecular weight of 324.47 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,3,3-tetramethyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 177369406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).