4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide

C22H26N2O3 — CID 46526087

IUPAC4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccccc2N2CCCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-27-18-11-9-17(10-12-18)21(25)13-14-22(26)23-19-7-3-4-8-20(19)24-15-5-6-16-24/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,23,26)
InChIKeyRQCKWBDRBQOFGU-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.29
Rot. Bonds8

About 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide

4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 46526087) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide
PubChem CID46526087
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccccc2N2CCCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-27-18-11-9-17(10-12-18)21(25)13-14-22(26)23-19-7-3-4-8-20(19)24-15-5-6-16-24/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,23,26)
InChIKeyRQCKWBDRBQOFGU-UHFFFAOYSA-N
XLogP4.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 51157452
2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2714751
4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880605
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 55814159
2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 34752830
4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 51157407
N-(3-acetamido-2-methylphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 134019287
N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279951
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide
CID 39759961
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide (CID 46526087) is 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide is CCOc1ccc(C(=O)CCC(=O)Nc2ccccc2N2CCCC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is RQCKWBDRBQOFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-27-18-11-9-17(10-12-18)21(25)13-14-22(26)23-19-7-3-4-8-20(19)24-15-5-6-16-24/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,23,26).
What are the key properties of 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide?
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 366.46 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 46526087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).