3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide

C15H24N2O3 — CID 43311896

IUPAC3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide
SMILESCCNCc1ccc(OCC(C)C(N)=O)c(OCC)c1
InChIInChI=1S/C15H24N2O3/c1-4-17-9-12-6-7-13(14(8-12)19-5-2)20-10-11(3)15(16)18/h6-8,11,17H,4-5,9-10H2,1-3H3,(H2,16,18)
InChIKeyGRDHLAKLMQMBEE-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.70
Rot. Bonds9

About 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide

3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide (PubChem CID 43311896) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide
PubChem CID43311896
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide
SMILESCCNCc1ccc(OCC(C)C(N)=O)c(OCC)c1
InChIInChI=1S/C15H24N2O3/c1-4-17-9-12-6-7-13(14(8-12)19-5-2)20-10-11(3)15(16)18/h6-8,11,17H,4-5,9-10H2,1-3H3,(H2,16,18)
InChIKeyGRDHLAKLMQMBEE-UHFFFAOYSA-N
XLogP1.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-ethoxy-4-(propylaminomethyl)phenoxy]-2-methylpropanamide
CID 43311897
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide
CID 43278167
2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278166
3-[5-(2-aminopropyl)-2-methoxyphenoxy]-2-methylpropanamide
CID 54929419
N-[[4-(2,2-difluoroethoxy)-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63058247
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 92921079
N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449790
2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate
CID 83211785
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43311872

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide?
The IUPAC name of 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide (CID 43311896) is 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide is CCNCc1ccc(OCC(C)C(N)=O)c(OCC)c1.
What is the InChIKey of 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide?
The InChIKey is GRDHLAKLMQMBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-17-9-12-6-7-13(14(8-12)19-5-2)20-10-11(3)15(16)18/h6-8,11,17H,4-5,9-10H2,1-3H3,(H2,16,18).
What are the key properties of 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide?
3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide is sourced from PubChem (CID 43311896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).