N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide

C21H28N2O5 — CID 2998274

IUPACN-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccc(C(CNC(=O)COc2ccccc2OC)N(C)C)cc1OC
InChIInChI=1S/C21H28N2O5/c1-23(2)16(15-10-11-18(26-4)20(12-15)27-5)13-22-21(24)14-28-19-9-7-6-8-17(19)25-3/h6-12,16H,13-14H2,1-5H3,(H,22,24)
InChIKeyCJMDFGCJUDSLRG-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.51
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide

N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 2998274) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID2998274
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccc(C(CNC(=O)COc2ccccc2OC)N(C)C)cc1OC
InChIInChI=1S/C21H28N2O5/c1-23(2)16(15-10-11-18(26-4)20(12-15)27-5)13-22-21(24)14-28-19-9-7-6-8-17(19)25-3/h6-12,16H,13-14H2,1-5H3,(H,22,24)
InChIKeyCJMDFGCJUDSLRG-UHFFFAOYSA-N
XLogP2.51
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 43006220
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-phenoxypropanamide
CID 112504169
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 42906840
N-[2-(dimethylamino)-2-phenylethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42893424
N-(2-ethylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115612569
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 43019829
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-4-(4-methylphenyl)butanamide
CID 110302842
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenoxyacetamide
CID 90613291
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide
CID 51190365
N-(2-aminopropyl)-2-(2-methoxyphenoxy)acetamide
CID 82354186
2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914369
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-fluorophenoxy)acetamide
CID 41318277

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide (CID 2998274) is N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccc(C(CNC(=O)COc2ccccc2OC)N(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is CJMDFGCJUDSLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-23(2)16(15-10-11-18(26-4)20(12-15)27-5)13-22-21(24)14-28-19-9-7-6-8-17(19)25-3/h6-12,16H,13-14H2,1-5H3,(H,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 388.46 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 2998274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).