2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide

C20H24N2O3 — CID 120884790

IUPAC2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)N(CCN)CCc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-16(23)18-8-5-9-19(14-18)25-15-20(24)22(13-11-21)12-10-17-6-3-2-4-7-17/h2-9,14H,10-13,15,21H2,1H3
InChIKeyZTIHSRHZHBACOT-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.30
Rot. Bonds9

About 2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide

2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide (PubChem CID 120884790) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide
PubChem CID120884790
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)N(CCN)CCc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-16(23)18-8-5-9-19(14-18)25-15-20(24)22(13-11-21)12-10-17-6-3-2-4-7-17/h2-9,14H,10-13,15,21H2,1H3
InChIKeyZTIHSRHZHBACOT-UHFFFAOYSA-N
XLogP2.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-phenylpropoxy)phenyl]ethanone
CID 21422440
2-phenylethyl 2-(3-acetylphenoxy)acetate
CID 82311984
N-(2-aminoethyl)-2-(2-ethoxyphenoxy)-N-(2-phenylethyl)acetamide
CID 120884950
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666
2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide
CID 7698005
N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886483
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
2-(3-acetylphenoxy)-N,N-bis(2-methylpropyl)acetamide
CID 78765430
1-(3-acetylphenoxy)-3-phenylpropan-2-one
CID 62030816
N-(2-aminoethyl)-2-(2-fluorophenoxy)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884947
2-(3-acetylphenoxy)-N-butyl-N-ethylacetamide
CID 78785120

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide (CID 120884790) is 2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide is CC(=O)c1cccc(OCC(=O)N(CCN)CCc2ccccc2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide?
The InChIKey is ZTIHSRHZHBACOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-16(23)18-8-5-9-19(14-18)25-15-20(24)22(13-11-21)12-10-17-6-3-2-4-7-17/h2-9,14H,10-13,15,21H2,1H3.
What are the key properties of 2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide?
2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide has a molecular weight of 340.42 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(2-aminoethyl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 120884790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).