2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide

C24H27N3O3 — CID 47008244

IUPAC2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide
SMILESCCOc1cc(CNC(C)c2ccccn2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H27N3O3/c1-3-29-23-15-19(16-26-18(2)21-11-7-8-14-25-21)12-13-22(23)30-17-24(28)27-20-9-5-4-6-10-20/h4-15,18,26H,3,16-17H2,1-2H3,(H,27,28)
InChIKeyQCRMOFCXXJIBCG-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.35
Rot. Bonds10

About 2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide

2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide (PubChem CID 47008244) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide
PubChem CID47008244
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide
SMILESCCOc1cc(CNC(C)c2ccccn2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H27N3O3/c1-3-29-23-15-19(16-26-18(2)21-11-7-8-14-25-21)12-13-22(23)30-17-24(28)27-20-9-5-4-6-10-20/h4-15,18,26H,3,16-17H2,1-2H3,(H,27,28)
InChIKeyQCRMOFCXXJIBCG-UHFFFAOYSA-N
XLogP4.35
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[[(2S)-butan-2-yl]amino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 51993011
2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 2959909
2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 30610439
N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide
CID 119106523
2-[2-ethoxy-4-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 30614052
2-[2-ethoxy-4-(methylaminomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 19589313
2-[4-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethylamino]methyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 71908285
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203
2-[4-[(3,3-dimethylbutan-2-ylamino)methyl]-2-ethoxyphenoxy]-N-(1-phenylethyl)acetamide;hydrochloride
CID 90483170
2-[2-ethoxy-4-[(1,3-thiazol-2-ylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539460
2-[[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]acetic acid
CID 66528287

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide (CID 47008244) is 2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide is CCOc1cc(CNC(C)c2ccccn2)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide?
The InChIKey is QCRMOFCXXJIBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-3-29-23-15-19(16-26-18(2)21-11-7-8-14-25-21)12-13-22(23)30-17-24(28)27-20-9-5-4-6-10-20/h4-15,18,26H,3,16-17H2,1-2H3,(H,27,28).
What are the key properties of 2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide?
2-[2-ethoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide has a molecular weight of 405.50 g/mol, XLogP of 4.35, 10 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-pyridin-2-ylethylamino)methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 47008244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).