3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide

C15H23ClN2O3 — CID 115954979

IUPAC3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1c(Cl)cccc1CNCCOC
InChIInChI=1S/C15H23ClN2O3/c1-3-18-14(19)7-9-21-15-12(5-4-6-13(15)16)11-17-8-10-20-2/h4-6,17H,3,7-11H2,1-2H3,(H,18,19)
InChIKeyBUDOAFDZWPFBJA-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.98
Rot. Bonds10

About 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide

3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide (PubChem CID 115954979) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide
PubChem CID115954979
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1c(Cl)cccc1CNCCOC
InChIInChI=1S/C15H23ClN2O3/c1-3-18-14(19)7-9-21-15-12(5-4-6-13(15)16)11-17-8-10-20-2/h4-6,17H,3,7-11H2,1-2H3,(H,18,19)
InChIKeyBUDOAFDZWPFBJA-UHFFFAOYSA-N
XLogP1.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.98
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

2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
CID 115954882
methyl 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954905
N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055805
3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112607866
N-ethyl-3-[2-methyl-6-(propylaminomethyl)phenoxy]propanamide
CID 115952878
N-[[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954964
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 115954939
3-[2-bromo-6-(propylaminomethyl)phenoxy]-N-ethylpropanamide
CID 62325837
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577
N-ethyl-2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63056273
N-[[3-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]ethanamine
CID 103409133
methyl 4-[2-chloro-6-(propylaminomethyl)phenoxy]butanoate
CID 115953074

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide?
The IUPAC name of 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide (CID 115954979) is 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide.
What is the SMILES notation for 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide?
The canonical SMILES for 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide is CCNC(=O)CCOc1c(Cl)cccc1CNCCOC.
What is the InChIKey of 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide?
The InChIKey is BUDOAFDZWPFBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-3-18-14(19)7-9-21-15-12(5-4-6-13(15)16)11-17-8-10-20-2/h4-6,17H,3,7-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide?
3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide has a molecular weight of 314.81 g/mol, XLogP of 1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylpropanamide is sourced from PubChem (CID 115954979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).