3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide

C22H28N2O2 — CID 56556229

IUPAC3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1ccc(N2CCC(C)C2)cc1
InChIInChI=1S/C22H28N2O2/c1-3-26-21-7-5-4-6-18(21)8-13-22(25)23-19-9-11-20(12-10-19)24-15-14-17(2)16-24/h4-7,9-12,17H,3,8,13-16H2,1-2H3,(H,23,25)
InChIKeyQUFRGRIDDYHVDW-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.50
Rot. Bonds7

About 3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide

3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide (PubChem CID 56556229) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
PubChem CID56556229
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1ccc(N2CCC(C)C2)cc1
InChIInChI=1S/C22H28N2O2/c1-3-26-21-7-5-4-6-18(21)8-13-22(25)23-19-9-11-20(12-10-19)24-15-14-17(2)16-24/h4-7,9-12,17H,3,8,13-16H2,1-2H3,(H,23,25)
InChIKeyQUFRGRIDDYHVDW-UHFFFAOYSA-N
XLogP4.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556359
3-(1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559008
2-(4-ethoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56556168
3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60600910
4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559078
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide
CID 110679108
N-[4-(cyanomethyl)phenyl]-3-(2-ethoxyphenyl)propanamide
CID 9261211
2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56556328
4-(cyclohexylcarbamoylamino)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]butanamide
CID 56557543
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-naphthalen-1-ylpropanamide
CID 71809665
3-(2-ethoxyphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87008242
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(3-methylpyrrolidin-1-yl)-4-oxobutanamide
CID 86897059

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide (CID 56556229) is 3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide is CCOc1ccccc1CCC(=O)Nc1ccc(N2CCC(C)C2)cc1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is QUFRGRIDDYHVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-26-21-7-5-4-6-18(21)8-13-22(25)23-19-9-11-20(12-10-19)24-15-14-17(2)16-24/h4-7,9-12,17H,3,8,13-16H2,1-2H3,(H,23,25).
What are the key properties of 3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 352.48 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 56556229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).