N-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide

C17H33N3O2 — CID 159538670

IUPACN-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide
SMILESCCC(CC(C)(C)C(=O)NCCCN(C)C)N1CCCC1=O
InChIInChI=1S/C17H33N3O2/c1-6-14(20-12-7-9-15(20)21)13-17(2,3)16(22)18-10-8-11-19(4)5/h14H,6-13H2,1-5H3,(H,18,22)
InChIKeyMDXMAMWGEFPJQG-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.87
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide

N-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide (PubChem CID 159538670) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide
PubChem CID159538670
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide
SMILESCCC(CC(C)(C)C(=O)NCCCN(C)C)N1CCCC1=O
InChIInChI=1S/C17H33N3O2/c1-6-14(20-12-7-9-15(20)21)13-17(2,3)16(22)18-10-8-11-19(4)5/h14H,6-13H2,1-5H3,(H,18,22)
InChIKeyMDXMAMWGEFPJQG-UHFFFAOYSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide (CID 159538670) is N-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide is CCC(CC(C)(C)C(=O)NCCCN(C)C)N1CCCC1=O.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide?
The InChIKey is MDXMAMWGEFPJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-6-14(20-12-7-9-15(20)21)13-17(2,3)16(22)18-10-8-11-19(4)5/h14H,6-13H2,1-5H3,(H,18,22).
What are the key properties of N-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide?
N-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide has a molecular weight of 311.47 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)hexanamide is sourced from PubChem (CID 159538670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).