N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide

C18H22N2O3 — CID 119421764

IUPACN-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide
SMILESCOc1ccc(N)c(NC(=O)CCOc2cccc(C)c2C)c1
InChIInChI=1S/C18H22N2O3/c1-12-5-4-6-17(13(12)2)23-10-9-18(21)20-16-11-14(22-3)7-8-15(16)19/h4-8,11H,9-10,19H2,1-3H3,(H,20,21)
InChIKeyLEVXUQHLRIUMAB-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.30
Rot. Bonds6

About N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide

N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide (PubChem CID 119421764) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide
PubChem CID119421764
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide
SMILESCOc1ccc(N)c(NC(=O)CCOc2cccc(C)c2C)c1
InChIInChI=1S/C18H22N2O3/c1-12-5-4-6-17(13(12)2)23-10-9-18(21)20-16-11-14(22-3)7-8-15(16)19/h4-8,11H,9-10,19H2,1-3H3,(H,20,21)
InChIKeyLEVXUQHLRIUMAB-UHFFFAOYSA-N
XLogP3.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119421763
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2,3-dimethylphenoxy)propanamide
CID 39821311
N-(2-amino-5-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 63257795
N-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 2452955
3-(2,3-dimethylphenoxy)-N-(2-methoxyethoxy)propanamide
CID 79675927
N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16783456
4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19190896
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
CID 55670156
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
N-[4-(cyanomethoxy)phenyl]-3-(2,3-dimethylphenoxy)propanamide
CID 31995785
N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 19191042

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide (CID 119421764) is N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide is COc1ccc(N)c(NC(=O)CCOc2cccc(C)c2C)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide?
The InChIKey is LEVXUQHLRIUMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-5-4-6-17(13(12)2)23-10-9-18(21)20-16-11-14(22-3)7-8-15(16)19/h4-8,11H,9-10,19H2,1-3H3,(H,20,21).
What are the key properties of N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide?
N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide has a molecular weight of 314.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-3-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 119421764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).