2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide

C13H20N2O3 — CID 61313403

IUPAC2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1ccc(C)cc1N
InChIInChI=1S/C13H20N2O3/c1-9-4-5-12(11(14)8-9)18-10(2)13(16)15-6-7-17-3/h4-5,8,10H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyJBGGGYRSHGXTIY-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.11
Rot. Bonds6

About 2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide

2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide (PubChem CID 61313403) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide
PubChem CID61313403
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1ccc(C)cc1N
InChIInChI=1S/C13H20N2O3/c1-9-4-5-12(11(14)8-9)18-10(2)13(16)15-6-7-17-3/h4-5,8,10H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyJBGGGYRSHGXTIY-UHFFFAOYSA-N
XLogP1.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 103201194
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide
CID 78946946
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide
CID 63651716
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 78946961
2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 60747305
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 63650006
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 43088984
2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 104707490
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 43520147
2-[[(2R)-2-(2,4-dimethylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 9172865
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide (CID 61313403) is 2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1ccc(C)cc1N.
What is the InChIKey of 2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide?
The InChIKey is JBGGGYRSHGXTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-4-5-12(11(14)8-9)18-10(2)13(16)15-6-7-17-3/h4-5,8,10H,6-7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide?
2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide has a molecular weight of 252.31 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 61313403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).