2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide

C18H22N2O2 — CID 82027609

IUPAC2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)C(C)Oc1cccc(N)c1
InChIInChI=1S/C18H22N2O2/c1-4-14-8-5-7-12(2)17(14)20-18(21)13(3)22-16-10-6-9-15(19)11-16/h5-11,13H,4,19H2,1-3H3,(H,20,21)
InChIKeyWPLWGZAQEZHMKI-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.55
Rot. Bonds5

About 2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide

2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 82027609) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID82027609
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)C(C)Oc1cccc(N)c1
InChIInChI=1S/C18H22N2O2/c1-4-14-8-5-7-12(2)17(14)20-18(21)13(3)22-16-10-6-9-15(19)11-16/h5-11,13H,4,19H2,1-3H3,(H,20,21)
InChIKeyWPLWGZAQEZHMKI-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 2576276
N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 4877561
N-(2,6-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266830
[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 23971950
2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide
CID 18894207
(2R)-2-(3-bromophenoxy)-N-(2,6-diethylphenyl)propanamide
CID 1177372
[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
CID 7709692
(2R)-2-(3-aminophenoxy)-N-methylpropanamide
CID 28908554
N-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide
CID 24690713
2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 55523747
N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 1179504
4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
CID 4055432

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide (CID 82027609) is 2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)C(C)Oc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is WPLWGZAQEZHMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-14-8-5-7-12(2)17(14)20-18(21)13(3)22-16-10-6-9-15(19)11-16/h5-11,13H,4,19H2,1-3H3,(H,20,21).
What are the key properties of 2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide?
2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 82027609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).