N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide

C21H28N2O3 — CID 46433016

IUPACN-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide
SMILESCCN(CC)C(C)CNC(=O)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3/c1-4-23(5-2)17(3)15-22-21(24)16-25-18-11-13-20(14-12-18)26-19-9-7-6-8-10-19/h6-14,17H,4-5,15-16H2,1-3H3,(H,22,24)
InChIKeyHXJQEGKAAYZUFX-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.70
Rot. Bonds10

About N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide

N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide (PubChem CID 46433016) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide
PubChem CID46433016
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide
SMILESCCN(CC)C(C)CNC(=O)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3/c1-4-23(5-2)17(3)15-22-21(24)16-25-18-11-13-20(14-12-18)26-19-9-7-6-8-10-19/h6-14,17H,4-5,15-16H2,1-3H3,(H,22,24)
InChIKeyHXJQEGKAAYZUFX-UHFFFAOYSA-N
XLogP3.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
N-[2-(diethylamino)-2-phenylethyl]-2-(4-ethylphenoxy)acetamide
CID 45155375
N-(2-ethylbutyl)-2-phenoxyacetamide
CID 115612512
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072
N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 65032139
N-(2-hydroxypropyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 78855960
N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19170892
N-[2-(diethylamino)propyl]-3,3-diphenylpropanamide
CID 112502151
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoic acid
CID 3630383
N-(4-bromo-2-methylbutyl)-2-phenoxyacetamide
CID 114316800
2-(4-phenoxyphenoxy)acetohydrazide
CID 873173

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide?
The IUPAC name of N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide (CID 46433016) is N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide is CCN(CC)C(C)CNC(=O)COc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide?
The InChIKey is HXJQEGKAAYZUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-23(5-2)17(3)15-22-21(24)16-25-18-11-13-20(14-12-18)26-19-9-7-6-8-10-19/h6-14,17H,4-5,15-16H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide?
N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide is sourced from PubChem (CID 46433016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).