2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide

C15H24N2O4 — CID 61486430

IUPAC2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCNCc1ccc(OC)cc1OCC(=O)NCCCOC
InChIInChI=1S/C15H24N2O4/c1-16-10-12-5-6-13(20-3)9-14(12)21-11-15(18)17-7-4-8-19-2/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,17,18)
InChIKeySDUICLGQLIQKDM-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.95
Rot. Bonds10

About 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide

2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide (PubChem CID 61486430) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide
PubChem CID61486430
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCNCc1ccc(OC)cc1OCC(=O)NCCCOC
InChIInChI=1S/C15H24N2O4/c1-16-10-12-5-6-13(20-3)9-14(12)21-11-15(18)17-7-4-8-19-2/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,17,18)
InChIKeySDUICLGQLIQKDM-UHFFFAOYSA-N
XLogP0.95
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.95
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

N-(2-methoxyethyl)-2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetamide
CID 61487286
N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide
CID 61485485
2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 82000191
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide
CID 61485483
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 63045317
methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63060282
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485540
2-[2-(ethylaminomethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487646
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168
2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43276291
2-(2,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 46448861
2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267812

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide (CID 61486430) is 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide is CNCc1ccc(OC)cc1OCC(=O)NCCCOC.
What is the InChIKey of 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide?
The InChIKey is SDUICLGQLIQKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-16-10-12-5-6-13(20-3)9-14(12)21-11-15(18)17-7-4-8-19-2/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide?
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 0.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 61486430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).