4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide

C18H26N2O3 — CID 119537733

IUPAC4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NCCC2CCNC2)cc1
InChIInChI=1S/C18H26N2O3/c1-2-23-16-5-3-15(4-6-16)17(21)7-8-18(22)20-12-10-14-9-11-19-13-14/h3-6,14,19H,2,7-13H2,1H3,(H,20,22)
InChIKeyATVYYRHQTVPVEB-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.16
Rot. Bonds9

About 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide

4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide (PubChem CID 119537733) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide
PubChem CID119537733
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NCCC2CCNC2)cc1
InChIInChI=1S/C18H26N2O3/c1-2-23-16-5-3-15(4-6-16)17(21)7-8-18(22)20-12-10-14-9-11-19-13-14/h3-6,14,19H,2,7-13H2,1H3,(H,20,22)
InChIKeyATVYYRHQTVPVEB-UHFFFAOYSA-N
XLogP2.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide 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-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534000
4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119537745
4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
CID 120555349
3-(4-propoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119536345
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
4-(4-ethoxyphenyl)-4-oxo-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119448841
4-(3,4-dimethylphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119538281
2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63624340
4-[4-(2-methylpropyl)phenyl]-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119557544
5-(4-methylsulfonylphenoxy)-N-(2-pyrrolidin-3-ylethyl)pentanamide;hydrochloride
CID 119534985
N',N'-diethyl-N-(2-pyrrolidin-3-ylethyl)butanediamide
CID 119537644
2-(4-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536634

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide (CID 119537733) is 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide is CCOc1ccc(C(=O)CCC(=O)NCCC2CCNC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide?
The InChIKey is ATVYYRHQTVPVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-23-16-5-3-15(4-6-16)17(21)7-8-18(22)20-12-10-14-9-11-19-13-14/h3-6,14,19H,2,7-13H2,1H3,(H,20,22).
What are the key properties of 4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide?
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide has a molecular weight of 318.42 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 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-3-ylethyl)butanamide is sourced from PubChem (CID 119537733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).