2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide

C17H26N2O3 — CID 18157857

IUPAC2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)COc1ccc(C)cc1C
InChIInChI=1S/C17H26N2O3/c1-6-19(10-16(20)18-12(2)3)17(21)11-22-15-8-7-13(4)9-14(15)5/h7-9,12H,6,10-11H2,1-5H3,(H,18,20)
InChIKeyYXEMIYOOTFTUIE-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.06
Rot. Bonds7

About 2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide

2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide (PubChem CID 18157857) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
PubChem CID18157857
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(=O)COc1ccc(C)cc1C
InChIInChI=1S/C17H26N2O3/c1-6-19(10-16(20)18-12(2)3)17(21)11-22-15-8-7-13(4)9-14(15)5/h7-9,12H,6,10-11H2,1-5H3,(H,18,20)
InChIKeyYXEMIYOOTFTUIE-UHFFFAOYSA-N
XLogP2.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]acetamide
CID 51193404
methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
CID 61383302
2-[ethyl-[2-(3-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 78767293
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide
CID 43505060
2-[[2-(4-benzoylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 3577124
2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334574
N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
CID 119583890
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide
CID 18131175
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 78788548
N-butan-2-yl-2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132707003

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide (CID 18157857) is 2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C(=O)COc1ccc(C)cc1C.
What is the InChIKey of 2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is YXEMIYOOTFTUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-6-19(10-16(20)18-12(2)3)17(21)11-22-15-8-7-13(4)9-14(15)5/h7-9,12H,6,10-11H2,1-5H3,(H,18,20).
What are the key properties of 2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide?
2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 306.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethylphenoxy)acetyl]-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 18157857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).