2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide

C14H22N2O3 — CID 43398915

IUPAC2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc(OCC)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-4-16-14(17)10-15-9-11-6-7-12(19-5-2)13(8-11)18-3/h6-8,15H,4-5,9-10H2,1-3H3,(H,16,17)
InChIKeyWLZBFUBMBVKKSW-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.32
Rot. Bonds8

About 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide

2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide (PubChem CID 43398915) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide
PubChem CID43398915
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc(OCC)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-4-16-14(17)10-15-9-11-6-7-12(19-5-2)13(8-11)18-3/h6-8,15H,4-5,9-10H2,1-3H3,(H,16,17)
InChIKeyWLZBFUBMBVKKSW-UHFFFAOYSA-N
XLogP1.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 106787110
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide
CID 43398927
2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide
CID 43221669
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923342
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996749
2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid
CID 122129258
N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide
CID 46434205
1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 60736257
N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 60887964

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide (CID 43398915) is 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide is CCNC(=O)CNCc1ccc(OCC)c(OC)c1.
What is the InChIKey of 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide?
The InChIKey is WLZBFUBMBVKKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-16-14(17)10-15-9-11-6-7-12(19-5-2)13(8-11)18-3/h6-8,15H,4-5,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide?
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide has a molecular weight of 266.34 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide is sourced from PubChem (CID 43398915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).