N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide

C18H22N2O2 — CID 119529545

IUPACN-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)NCC(N)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-13-7-6-8-14(2)18(13)22-12-17(21)20-11-16(19)15-9-4-3-5-10-15/h3-10,16H,11-12,19H2,1-2H3,(H,20,21)
InChIKeyCZGBQTKUECJAGN-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.50
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide

N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 119529545) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide
PubChem CID119529545
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)NCC(N)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-13-7-6-8-14(2)18(13)22-12-17(21)20-11-16(19)15-9-4-3-5-10-15/h3-10,16H,11-12,19H2,1-2H3,(H,20,21)
InChIKeyCZGBQTKUECJAGN-UHFFFAOYSA-N
XLogP2.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119528609
2-(2,6-dimethylphenoxy)-N-(2-ethylbutyl)acetamide
CID 115612647
N-(2-amino-2-phenylethyl)-2-propan-2-yloxyacetamide;hydrochloride
CID 119529017
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 30521032
2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 171381792
(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
CID 10377047
2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 111566012
2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804
N-(2-amino-2-phenylethyl)-3-methylpyridine-2-carboxamide
CID 55176966

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide (CID 119529545) is N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide is Cc1cccc(C)c1OCC(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is CZGBQTKUECJAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-7-6-8-14(2)18(13)22-12-17(21)20-11-16(19)15-9-4-3-5-10-15/h3-10,16H,11-12,19H2,1-2H3,(H,20,21).
What are the key properties of N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide?
N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 119529545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).