2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide

C15H24N2O3 — CID 61486434

IUPAC2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCc1cccc(COC)c1
InChIInChI=1S/C15H24N2O3/c1-19-8-4-7-17-15(18)11-16-10-13-5-3-6-14(9-13)12-20-2/h3,5-6,9,16H,4,7-8,10-12H2,1-2H3,(H,17,18)
InChIKeyQVBXNSVSWKRPPA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.08
Rot. Bonds10

About 2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide

2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 61486434) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
PubChem CID61486434
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCc1cccc(COC)c1
InChIInChI=1S/C15H24N2O3/c1-19-8-4-7-17-15(18)11-16-10-13-5-3-6-14(9-13)12-20-2/h3,5-6,9,16H,4,7-8,10-12H2,1-2H3,(H,17,18)
InChIKeyQVBXNSVSWKRPPA-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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-[[3-(hydroxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 107230510
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)acetamide
CID 60647411
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone
CID 54896178
N-(3-methoxypropyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 60647529
N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 46487585
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
3-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 60970958
N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide
CID 108506373
2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 62228874
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119842558

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide (CID 61486434) is 2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNCc1cccc(COC)c1.
What is the InChIKey of 2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is QVBXNSVSWKRPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-19-8-4-7-17-15(18)11-16-10-13-5-3-6-14(9-13)12-20-2/h3,5-6,9,16H,4,7-8,10-12H2,1-2H3,(H,17,18).
What are the key properties of 2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide?
2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 61486434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).