4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide

C23H28N2O3 — CID 26070713

IUPAC4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2ccc(N3CCCC3)cc2C)cc1
InChIInChI=1S/C23H28N2O3/c1-17-16-20(25-13-3-4-14-25)9-12-22(17)24-23(27)6-5-15-28-21-10-7-19(8-11-21)18(2)26/h7-12,16H,3-6,13-15H2,1-2H3,(H,24,27)
InChIKeyQCBSRORTAHBHNL-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.60
Rot. Bonds8

About 4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide

4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 26070713) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide
PubChem CID26070713
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2ccc(N3CCCC3)cc2C)cc1
InChIInChI=1S/C23H28N2O3/c1-17-16-20(25-13-3-4-14-25)9-12-22(17)24-23(27)6-5-15-28-21-10-7-19(8-11-21)18(2)26/h7-12,16H,3-6,13-15H2,1-2H3,(H,24,27)
InChIKeyQCBSRORTAHBHNL-UHFFFAOYSA-N
XLogP4.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 18094899
5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 82013453
4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
CID 16582380
2-(2-aminoethoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 79473039
4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide
CID 78769431
4-(4-acetylphenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 2666396
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912242
4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide
CID 2105244
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
2-[4-[4-(3-acetylphenoxy)butanoylamino]-3-methylphenoxy]acetic acid
CID 119231587

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide (CID 26070713) is 4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide is CC(=O)c1ccc(OCCCC(=O)Nc2ccc(N3CCCC3)cc2C)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is QCBSRORTAHBHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-16-20(25-13-3-4-14-25)9-12-22(17)24-23(27)6-5-15-28-21-10-7-19(8-11-21)18(2)26/h7-12,16H,3-6,13-15H2,1-2H3,(H,24,27).
What are the key properties of 4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide?
4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 380.49 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 26070713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).