3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide

C15H24N2O4 — CID 63058251

IUPAC3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
SMILESCCOc1cc(CNCCOC)ccc1OCCC(N)=O
InChIInChI=1S/C15H24N2O4/c1-3-20-14-10-12(11-17-7-9-19-2)4-5-13(14)21-8-6-15(16)18/h4-5,10,17H,3,6-9,11H2,1-2H3,(H2,16,18)
InChIKeyMCXJMFMJUGYSCT-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.08
Rot. Bonds11

About 3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide

3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide (PubChem CID 63058251) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
PubChem CID63058251
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
SMILESCCOc1cc(CNCCOC)ccc1OCCC(N)=O
InChIInChI=1S/C15H24N2O4/c1-3-20-14-10-12(11-17-7-9-19-2)4-5-13(14)21-8-6-15(16)18/h4-5,10,17H,3,6-9,11H2,1-2H3,(H2,16,18)
InChIKeyMCXJMFMJUGYSCT-UHFFFAOYSA-N
XLogP1.08
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144
4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
CID 63056902
2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate
CID 83211785
methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63950518
3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63061286
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methoxyethanamine;hydrochloride
CID 17055029
3-[(3-ethoxy-4-methoxyphenyl)methylamino]propanoic acid;hydrochloride
CID 163331515
ethyl 4-[(3-ethoxy-4-methoxyphenyl)methylamino]butanoate
CID 64580647
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
3-(3,4-diethoxyphenyl)propanamide
CID 28631811
methyl 3-[4-(2-aminopropyl)-2-ethoxyphenoxy]propanoate
CID 63947485
2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65364721

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide?
The IUPAC name of 3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide (CID 63058251) is 3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide.
What is the SMILES notation for 3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide?
The canonical SMILES for 3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide is CCOc1cc(CNCCOC)ccc1OCCC(N)=O.
What is the InChIKey of 3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide?
The InChIKey is MCXJMFMJUGYSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-20-14-10-12(11-17-7-9-19-2)4-5-13(14)21-8-6-15(16)18/h4-5,10,17H,3,6-9,11H2,1-2H3,(H2,16,18).
What are the key properties of 3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide?
3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide has a molecular weight of 296.37 g/mol, XLogP of 1.08, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide is sourced from PubChem (CID 63058251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).