4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide

C22H26N2O3 — CID 55814159

IUPAC4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2cccc(N3CCCC3)c2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-27-20-10-8-17(9-11-20)21(25)12-13-22(26)23-18-6-5-7-19(16-18)24-14-3-4-15-24/h5-11,16H,2-4,12-15H2,1H3,(H,23,26)
InChIKeyPOVXGDKARYIGAQ-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.29
Rot. Bonds8

About 4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide

4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 55814159) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide
PubChem CID55814159
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2cccc(N3CCCC3)c2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-27-20-10-8-17(9-11-20)21(25)12-13-22(26)23-18-6-5-7-19(16-18)24-14-3-4-15-24/h5-11,16H,2-4,12-15H2,1H3,(H,23,26)
InChIKeyPOVXGDKARYIGAQ-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

ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate
CID 61062260
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide
CID 46526087
ethyl 1-[3-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]phenyl]pyrazole-3-carboxylate
CID 55711277
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
3-acetamido-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426221
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 114014794
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110613002
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110361627

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide (CID 55814159) is 4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide is CCOc1ccc(C(=O)CCC(=O)Nc2cccc(N3CCCC3)c2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is POVXGDKARYIGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-27-20-10-8-17(9-11-20)21(25)12-13-22(26)23-18-6-5-7-19(16-18)24-14-3-4-15-24/h5-11,16H,2-4,12-15H2,1H3,(H,23,26).
What are the key properties of 4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide?
4-(4-ethoxyphenyl)-4-oxo-N-(3-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-(3-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 55814159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).