3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide

C16H26N2O3 — CID 103824190

IUPAC3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide
SMILESCCOc1cccc(CNCC(C)(C)C(=O)NC)c1OC
InChIInChI=1S/C16H26N2O3/c1-6-21-13-9-7-8-12(14(13)20-5)10-18-11-16(2,3)15(19)17-4/h7-9,18H,6,10-11H2,1-5H3,(H,17,19)
InChIKeyGEGDTXHEUGRKJN-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.96
Rot. Bonds8

About 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide

3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide (PubChem CID 103824190) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide
PubChem CID103824190
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide
SMILESCCOc1cccc(CNCC(C)(C)C(=O)NC)c1OC
InChIInChI=1S/C16H26N2O3/c1-6-21-13-9-7-8-12(14(13)20-5)10-18-11-16(2,3)15(19)17-4/h7-9,18H,6,10-11H2,1-5H3,(H,17,19)
InChIKeyGEGDTXHEUGRKJN-UHFFFAOYSA-N
XLogP1.96
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43221626
N-tert-butyl-2-[(3-ethoxy-2-methoxyphenyl)methylamino]acetamide
CID 115281366
2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol
CID 43220976
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 35605521
3-[(2,3-dihydroxyphenyl)methylamino]-N,2,2-trimethylpropanamide
CID 113357962
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 43771181
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629790
3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115655973
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632638
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220481

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide (CID 103824190) is 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide is CCOc1cccc(CNCC(C)(C)C(=O)NC)c1OC.
What is the InChIKey of 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide?
The InChIKey is GEGDTXHEUGRKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-21-13-9-7-8-12(14(13)20-5)10-18-11-16(2,3)15(19)17-4/h7-9,18H,6,10-11H2,1-5H3,(H,17,19).
What are the key properties of 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide?
3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-2-methoxyphenyl)methylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103824190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).