2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide

C13H20N2O3 — CID 103201185

IUPAC2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
SMILESCOc1ccc(OCC(=O)N(C)C(C)C)cc1N
InChIInChI=1S/C13H20N2O3/c1-9(2)15(3)13(16)8-18-10-5-6-12(17-4)11(14)7-10/h5-7,9H,8,14H2,1-4H3
InChIKeyILGRHSLSQHQGHJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.52
Rot. Bonds5

About 2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide

2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide (PubChem CID 103201185) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
PubChem CID103201185
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
SMILESCOc1ccc(OCC(=O)N(C)C(C)C)cc1N
InChIInChI=1S/C13H20N2O3/c1-9(2)15(3)13(16)8-18-10-5-6-12(17-4)11(14)7-10/h5-7,9H,8,14H2,1-4H3
InChIKeyILGRHSLSQHQGHJ-UHFFFAOYSA-N
XLogP1.52
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-methoxyphenoxy)-N,N-dimethylacetamide
CID 16771171
2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 107171511
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63364493
2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43259288
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907017
2-methoxy-5-propan-2-yloxyaniline
CID 10081024
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414457
2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 43279407
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107698259
5-[2-[methyl(propan-2-yl)amino]-2-oxoethoxy]-2-nitrobenzoic acid
CID 102739673
N-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride
CID 119582603
2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907872

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide (CID 103201185) is 2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide is COc1ccc(OCC(=O)N(C)C(C)C)cc1N.
What is the InChIKey of 2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is ILGRHSLSQHQGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)15(3)13(16)8-18-10-5-6-12(17-4)11(14)7-10/h5-7,9H,8,14H2,1-4H3.
What are the key properties of 2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide?
2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 252.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methoxyphenoxy)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 103201185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).