N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide

C15H24N2O3 — CID 63055805

IUPACN-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
SMILESCCNC(=O)CCOc1ccccc1CNCCOC
InChIInChI=1S/C15H24N2O3/c1-3-17-15(18)8-10-20-14-7-5-4-6-13(14)12-16-9-11-19-2/h4-7,16H,3,8-12H2,1-2H3,(H,17,18)
InChIKeyVVAFOMNUVOJWBY-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.33
Rot. Bonds10

About N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide

N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide (PubChem CID 63055805) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
PubChem CID63055805
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
SMILESCCNC(=O)CCOc1ccccc1CNCCOC
InChIInChI=1S/C15H24N2O3/c1-3-17-15(18)8-10-20-14-7-5-4-6-13(14)12-16-9-11-19-2/h4-7,16H,3,8-12H2,1-2H3,(H,17,18)
InChIKeyVVAFOMNUVOJWBY-UHFFFAOYSA-N
XLogP1.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63949511
3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide
CID 115954979
2-[2-(ethylaminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 61487799
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
N-ethyl-2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63056273
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204
N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide
CID 62325462
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114491988
2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine
CID 66047570
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
CID 115954882

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide?
The IUPAC name of N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide (CID 63055805) is N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide.
What is the SMILES notation for N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide?
The canonical SMILES for N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide is CCNC(=O)CCOc1ccccc1CNCCOC.
What is the InChIKey of N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide?
The InChIKey is VVAFOMNUVOJWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-17-15(18)8-10-20-14-7-5-4-6-13(14)12-16-9-11-19-2/h4-7,16H,3,8-12H2,1-2H3,(H,17,18).
What are the key properties of N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide?
N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide is sourced from PubChem (CID 63055805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).