2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide

C13H20N2O4 — CID 103201194

IUPAC2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1ccc(OC)c(N)c1
InChIInChI=1S/C13H20N2O4/c1-9(13(16)15-6-7-17-2)19-10-4-5-12(18-3)11(14)8-10/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)
InChIKeySDBRIOVCCZXPHH-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.81
Rot. Bonds7

About 2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide

2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide (PubChem CID 103201194) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
PubChem CID103201194
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1ccc(OC)c(N)c1
InChIInChI=1S/C13H20N2O4/c1-9(13(16)15-6-7-17-2)19-10-4-5-12(18-3)11(14)8-10/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)
InChIKeySDBRIOVCCZXPHH-UHFFFAOYSA-N
XLogP0.81
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61313403
2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 104707490
(2S)-N-(2-methoxyethyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949228
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]-N-(2-methoxyethyl)propanamide
CID 82003316
2-(4-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide
CID 43116881
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
2-[4-(2-hydroxypropyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 115495985
2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 43116983
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367457

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide (CID 103201194) is 2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1ccc(OC)c(N)c1.
What is the InChIKey of 2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide?
The InChIKey is SDBRIOVCCZXPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9(13(16)15-6-7-17-2)19-10-4-5-12(18-3)11(14)8-10/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide?
2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide has a molecular weight of 268.31 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 103201194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).