N-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide

C21H32N2O4 — CID 59979845

IUPACN-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide
SMILESCCC(C)c1ccc(C(=O)NCCOCCOC2CCN(C(C)=O)C2)cc1
InChIInChI=1S/C21H32N2O4/c1-4-16(2)18-5-7-19(8-6-18)21(25)22-10-12-26-13-14-27-20-9-11-23(15-20)17(3)24/h5-8,16,20H,4,9-15H2,1-3H3,(H,22,25)
InChIKeyBRXWXMCSSINBMY-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.58
Rot. Bonds10

About N-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide

N-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide (PubChem CID 59979845) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide
PubChem CID59979845
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC NameN-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide
SMILESCCC(C)c1ccc(C(=O)NCCOCCOC2CCN(C(C)=O)C2)cc1
InChIInChI=1S/C21H32N2O4/c1-4-16(2)18-5-7-19(8-6-18)21(25)22-10-12-26-13-14-27-20-9-11-23(15-20)17(3)24/h5-8,16,20H,4,9-15H2,1-3H3,(H,22,25)
InChIKeyBRXWXMCSSINBMY-UHFFFAOYSA-N
XLogP2.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide?
The IUPAC name of N-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide (CID 59979845) is N-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide.
What is the SMILES notation for N-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide?
The canonical SMILES for N-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide is CCC(C)c1ccc(C(=O)NCCOCCOC2CCN(C(C)=O)C2)cc1.
What is the InChIKey of N-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide?
The InChIKey is BRXWXMCSSINBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-4-16(2)18-5-7-19(8-6-18)21(25)22-10-12-26-13-14-27-20-9-11-23(15-20)17(3)24/h5-8,16,20H,4,9-15H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide?
N-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide has a molecular weight of 376.50 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide is sourced from PubChem (CID 59979845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).