3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide

C14H22N2O4 — CID 63057144

IUPAC3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
SMILESCOCCNCc1ccc(OC)c(OCCC(N)=O)c1
InChIInChI=1S/C14H22N2O4/c1-18-8-6-16-10-11-3-4-12(19-2)13(9-11)20-7-5-14(15)17/h3-4,9,16H,5-8,10H2,1-2H3,(H2,15,17)
InChIKeyJDMZFIRKOJWQRE-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.69
Rot. Bonds10

About 3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide

3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide (PubChem CID 63057144) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
PubChem CID63057144
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
SMILESCOCCNCc1ccc(OC)c(OCCC(N)=O)c1
InChIInChI=1S/C14H22N2O4/c1-18-8-6-16-10-11-3-4-12(19-2)13(9-11)20-7-5-14(15)17/h3-4,9,16H,5-8,10H2,1-2H3,(H2,15,17)
InChIKeyJDMZFIRKOJWQRE-UHFFFAOYSA-N
XLogP0.69
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.69
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-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63058251
methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63950518
3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63061286
2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65364721
5-[(3,4-dimethoxyphenyl)methylamino]pentanamide
CID 106233498
2-methoxy-N-[[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63057303
2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate
CID 83211785
2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055739
methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate
CID 63950104
N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 55147209
2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17209258
3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide
CID 60907156

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide?
The IUPAC name of 3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide (CID 63057144) is 3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide.
What is the SMILES notation for 3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide?
The canonical SMILES for 3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide is COCCNCc1ccc(OC)c(OCCC(N)=O)c1.
What is the InChIKey of 3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide?
The InChIKey is JDMZFIRKOJWQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-18-8-6-16-10-11-3-4-12(19-2)13(9-11)20-7-5-14(15)17/h3-4,9,16H,5-8,10H2,1-2H3,(H2,15,17).
What are the key properties of 3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide?
3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide has a molecular weight of 282.34 g/mol, XLogP of 0.69, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide is sourced from PubChem (CID 63057144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).