N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide

C15H24N2O3 — CID 62325462

IUPACN-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide
SMILESCCNCc1cc(OC)ccc1OCCC(=O)NCC
InChIInChI=1S/C15H24N2O3/c1-4-16-11-12-10-13(19-3)6-7-14(12)20-9-8-15(18)17-5-2/h6-7,10,16H,4-5,8-9,11H2,1-3H3,(H,17,18)
InChIKeyXBHSGYABLVNKLF-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.71
Rot. Bonds9

About N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide

N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide (PubChem CID 62325462) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide
PubChem CID62325462
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide
SMILESCCNCc1cc(OC)ccc1OCCC(=O)NCC
InChIInChI=1S/C15H24N2O3/c1-4-16-11-12-10-13(19-3)6-7-14(12)20-9-8-15(18)17-5-2/h6-7,10,16H,4-5,8-9,11H2,1-3H3,(H,17,18)
InChIKeyXBHSGYABLVNKLF-UHFFFAOYSA-N
XLogP1.71
TPSA59.59 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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-aminopropyl)-4-methoxyphenoxy]-N-ethylpropanamide
CID 62325762
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 54935590
2-[2-(ethylaminomethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487646
N-ethyl-3-[[6-(ethylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propanamide
CID 62326560
3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63061286
N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
CID 103177499
N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449683
N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055805
N-[[5-methoxy-2-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 61483691
N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61493816
2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
CID 43276397
2-(2,5-dimethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 78823018

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide?
The IUPAC name of N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide (CID 62325462) is N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide.
What is the SMILES notation for N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide?
The canonical SMILES for N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide is CCNCc1cc(OC)ccc1OCCC(=O)NCC.
What is the InChIKey of N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide?
The InChIKey is XBHSGYABLVNKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-16-11-12-10-13(19-3)6-7-14(12)20-9-8-15(18)17-5-2/h6-7,10,16H,4-5,8-9,11H2,1-3H3,(H,17,18).
What are the key properties of N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide?
N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide is sourced from PubChem (CID 62325462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).