3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide

C16H29N3O3 — CID 134847418

IUPAC3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)(C)C(C(=O)NCCN1CCOCC1)N1CCCC1=O
InChIInChI=1S/C16H29N3O3/c1-16(2,3)14(19-7-4-5-13(19)20)15(21)17-6-8-18-9-11-22-12-10-18/h14H,4-12H2,1-3H3,(H,17,21)
InChIKeyHQWVSEYPTSXQSC-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.47
Rot. Bonds5

About 3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide

3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 134847418) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID134847418
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)(C)C(C(=O)NCCN1CCOCC1)N1CCCC1=O
InChIInChI=1S/C16H29N3O3/c1-16(2,3)14(19-7-4-5-13(19)20)15(21)17-6-8-18-9-11-22-12-10-18/h14H,4-12H2,1-3H3,(H,17,21)
InChIKeyHQWVSEYPTSXQSC-UHFFFAOYSA-N
XLogP0.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide (CID 134847418) is 3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide is CC(C)(C)C(C(=O)NCCN1CCOCC1)N1CCCC1=O.
What is the InChIKey of 3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is HQWVSEYPTSXQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-16(2,3)14(19-7-4-5-13(19)20)15(21)17-6-8-18-9-11-22-12-10-18/h14H,4-12H2,1-3H3,(H,17,21).
What are the key properties of 3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 311.43 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-morpholin-4-ylethyl)-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 134847418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).