4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide

C17H24N2O3 — CID 119553580

IUPAC4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
SMILESCC(=O)c1cccc(OCCCC(=O)N(C)C2CCNC2)c1
InChIInChI=1S/C17H24N2O3/c1-13(20)14-5-3-6-16(11-14)22-10-4-7-17(21)19(2)15-8-9-18-12-15/h3,5-6,11,15,18H,4,7-10,12H2,1-2H3
InChIKeyGWIHGWFEGGHKIR-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.87
Rot. Bonds7

About 4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide

4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide (PubChem CID 119553580) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide.

Molecular Properties

Compound Name4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
PubChem CID119553580
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
SMILESCC(=O)c1cccc(OCCCC(=O)N(C)C2CCNC2)c1
InChIInChI=1S/C17H24N2O3/c1-13(20)14-5-3-6-16(11-14)22-10-4-7-17(21)19(2)15-8-9-18-12-15/h3,5-6,11,15,18H,4,7-10,12H2,1-2H3
InChIKeyGWIHGWFEGGHKIR-UHFFFAOYSA-N
XLogP1.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119443722
4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119553657
4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552447
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665
4-(4-chloro-3-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551230
4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide
CID 119443099
4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119554526
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
3-(2-methoxyethoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119441131
3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119441938
3-ethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119443526
3-[4-(3-acetylphenoxy)butanoyl-methylamino]propanoic acid
CID 119232841

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide?
The IUPAC name of 4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide (CID 119553580) is 4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide.
What is the SMILES notation for 4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide?
The canonical SMILES for 4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide is CC(=O)c1cccc(OCCCC(=O)N(C)C2CCNC2)c1.
What is the InChIKey of 4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide?
The InChIKey is GWIHGWFEGGHKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(20)14-5-3-6-16(11-14)22-10-4-7-17(21)19(2)15-8-9-18-12-15/h3,5-6,11,15,18H,4,7-10,12H2,1-2H3.
What are the key properties of 4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide?
4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide has a molecular weight of 304.39 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide is sourced from PubChem (CID 119553580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).