N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide

C17H20N2O5 — CID 28867331

IUPACN-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2cc(OC)c(OC)cc2N)c1
InChIInChI=1S/C17H20N2O5/c1-21-11-5-4-6-12(7-11)24-10-17(20)19-14-9-16(23-3)15(22-2)8-13(14)18/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeyKGIMDWPDXJLVMO-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.31
Rot. Bonds7

About N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide

N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide (PubChem CID 28867331) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
PubChem CID28867331
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC NameN-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)Nc2cc(OC)c(OC)cc2N)c1
InChIInChI=1S/C17H20N2O5/c1-21-11-5-4-6-12(7-11)24-10-17(20)19-14-9-16(23-3)15(22-2)8-13(14)18/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeyKGIMDWPDXJLVMO-UHFFFAOYSA-N
XLogP2.31
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
N-[2-amino-4-(3-methylbutoxy)phenyl]-2-(3-methoxyphenoxy)acetamide
CID 86689284
N-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 26209437
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N-(3-amino-4-ethylphenyl)-2-(3-methoxyphenoxy)acetamide
CID 28867334
N-(3-amino-4-methylphenyl)-2-(3-methoxyphenoxy)acetamide
CID 28867332
N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide
CID 62100305
2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 17432048
N-(5-chloro-2-fluorophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112779285
N-(4,5-dimethoxy-2-methylphenyl)-2-(3-ethylphenoxy)acetamide
CID 7751005
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
2-(3-methoxyphenoxy)-N-(2-oxo-1H-pyridin-3-yl)acetamide
CID 75419162

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide (CID 28867331) is N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)Nc2cc(OC)c(OC)cc2N)c1.
What is the InChIKey of N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide?
The InChIKey is KGIMDWPDXJLVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-21-11-5-4-6-12(7-11)24-10-17(20)19-14-9-16(23-3)15(22-2)8-13(14)18/h4-9H,10,18H2,1-3H3,(H,19,20).
What are the key properties of N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide?
N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide has a molecular weight of 332.36 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 28867331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).