2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide

C24H33N3O3 — CID 60590256

IUPAC2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide
SMILESCCOc1cc(CNCC2CCCN2CC)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H33N3O3/c1-3-27-14-8-11-21(27)17-25-16-19-12-13-22(23(15-19)29-4-2)30-18-24(28)26-20-9-6-5-7-10-20/h5-7,9-10,12-13,15,21,25H,3-4,8,11,14,16-18H2,1-2H3,(H,26,28)
InChIKeyHAEXRLIAHJQGGN-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.68
Rot. Bonds11

About 2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide

2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide (PubChem CID 60590256) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide
PubChem CID60590256
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide
SMILESCCOc1cc(CNCC2CCCN2CC)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H33N3O3/c1-3-27-14-8-11-21(27)17-25-16-19-12-13-22(23(15-19)29-4-2)30-18-24(28)26-20-9-6-5-7-10-20/h5-7,9-10,12-13,15,21,25H,3-4,8,11,14,16-18H2,1-2H3,(H,26,28)
InChIKeyHAEXRLIAHJQGGN-UHFFFAOYSA-N
XLogP3.68
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51986488
N-[(3,4-diethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628283
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628263
2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 2959909
N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 51986428
2-[2-[[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51986239
2-[2-bromo-4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 51986320
2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 30610439
2-[4-bromo-2-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51986647
2-[4-chloro-2-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51986965
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
2-[2-ethoxy-4-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 30614052

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide (CID 60590256) is 2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide is CCOc1cc(CNCC2CCCN2CC)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide?
The InChIKey is HAEXRLIAHJQGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-3-27-14-8-11-21(27)17-25-16-19-12-13-22(23(15-19)29-4-2)30-18-24(28)26-20-9-6-5-7-10-20/h5-7,9-10,12-13,15,21,25H,3-4,8,11,14,16-18H2,1-2H3,(H,26,28).
What are the key properties of 2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide?
2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide has a molecular weight of 411.55 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 60590256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).