N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide

C18H20F2N2O2 — CID 120886664

IUPACN-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide
SMILESNCCN(CCc1ccccc1)C(=O)COc1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2O2/c19-15-6-7-17(16(20)12-15)24-13-18(23)22(11-9-21)10-8-14-4-2-1-3-5-14/h1-7,12H,8-11,13,21H2
InChIKeyMDJHOADYZFQTLD-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.37
Rot. Bonds8

About N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide

N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide (PubChem CID 120886664) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide
PubChem CID120886664
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide
SMILESNCCN(CCc1ccccc1)C(=O)COc1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2O2/c19-15-6-7-17(16(20)12-15)24-13-18(23)22(11-9-21)10-8-14-4-2-1-3-5-14/h1-7,12H,8-11,13,21H2
InChIKeyMDJHOADYZFQTLD-UHFFFAOYSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(2-fluorophenoxy)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884947
N-(2-aminoethyl)-2-(2-ethoxyphenoxy)-N-(2-phenylethyl)acetamide
CID 120884950
N-(2-aminoethyl)-2-(2-chlorophenoxy)-N-(2-phenylethyl)acetamide
CID 120885508
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-(2-aminoethyl)-N-(2-phenylethyl)acetamide
CID 120884790
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(2,2,2-trifluoroethoxy)acetamide;hydrochloride
CID 120884359
3-[[2-(2,4-difluorophenoxy)acetyl]-ethylamino]propanoic acid
CID 61007298
N-(2-aminoethyl)-2-(2-fluorophenyl)-N-(2-phenylethyl)acetamide
CID 120885714
N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride
CID 120649975
N-(2-aminoethyl)-2-(2,6-difluorophenyl)-N-(2-phenylethyl)acetamide
CID 120886814
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120884990

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide (CID 120886664) is N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide is NCCN(CCc1ccccc1)C(=O)COc1ccc(F)cc1F.
What is the InChIKey of N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide?
The InChIKey is MDJHOADYZFQTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c19-15-6-7-17(16(20)12-15)24-13-18(23)22(11-9-21)10-8-14-4-2-1-3-5-14/h1-7,12H,8-11,13,21H2.
What are the key properties of N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide?
N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide has a molecular weight of 334.37 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2,4-difluorophenoxy)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 120886664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).