4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide

C25H32N2O4 — CID 55328450

IUPAC4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NCC(c2ccc(OC)cc2)N2CCCC2)cc1
InChIInChI=1S/C25H32N2O4/c1-3-31-22-12-8-20(9-13-22)24(28)14-15-25(29)26-18-23(27-16-4-5-17-27)19-6-10-21(30-2)11-7-19/h6-13,23H,3-5,14-18H2,1-2H3,(H,26,29)
InChIKeyGDOPMEAMNMKEAS-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.01
Rot. Bonds11

About 4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide

4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide (PubChem CID 55328450) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
PubChem CID55328450
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NCC(c2ccc(OC)cc2)N2CCCC2)cc1
InChIInChI=1S/C25H32N2O4/c1-3-31-22-12-8-20(9-13-22)24(28)14-15-25(29)26-18-23(27-16-4-5-17-27)19-6-10-21(30-2)11-7-19/h6-13,23H,3-5,14-18H2,1-2H3,(H,26,29)
InChIKeyGDOPMEAMNMKEAS-UHFFFAOYSA-N
XLogP4.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 51161543
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623858
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 112503446
2-(4-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 46529074
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide
CID 112503869
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 43006617
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110621715
3-acetamido-N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 110353409
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 27771241
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide (CID 55328450) is 4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)NCC(c2ccc(OC)cc2)N2CCCC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide?
The InChIKey is GDOPMEAMNMKEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-3-31-22-12-8-20(9-13-22)24(28)14-15-25(29)26-18-23(27-16-4-5-17-27)19-6-10-21(30-2)11-7-19/h6-13,23H,3-5,14-18H2,1-2H3,(H,26,29).
What are the key properties of 4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide has a molecular weight of 424.54 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide is sourced from PubChem (CID 55328450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).