2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide

C19H24N2O3 — CID 56820860

IUPAC2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CNCc2cc(C)cc(C)c2)ccc1OCC(N)=O
InChIInChI=1S/C19H24N2O3/c1-13-6-14(2)8-16(7-13)11-21-10-15-4-5-17(18(9-15)23-3)24-12-19(20)22/h4-9,21H,10-12H2,1-3H3,(H2,20,22)
InChIKeyFJDXZTPRRTUHOG-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.47
Rot. Bonds8

About 2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide

2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide (PubChem CID 56820860) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
PubChem CID56820860
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CNCc2cc(C)cc(C)c2)ccc1OCC(N)=O
InChIInChI=1S/C19H24N2O3/c1-13-6-14(2)8-16(7-13)11-21-10-15-4-5-17(18(9-15)23-3)24-12-19(20)22/h4-9,21H,10-12H2,1-3H3,(H2,20,22)
InChIKeyFJDXZTPRRTUHOG-UHFFFAOYSA-N
XLogP2.47
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide
CID 94074154
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 102536557
2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
CID 17289414
2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17209258
2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 2997355
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
2-[2-methoxy-4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17207216
2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride
CID 21233673
2-[4-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 119121988

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide (CID 56820860) is 2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide is COc1cc(CNCc2cc(C)cc(C)c2)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is FJDXZTPRRTUHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-6-14(2)8-16(7-13)11-21-10-15-4-5-17(18(9-15)23-3)24-12-19(20)22/h4-9,21H,10-12H2,1-3H3,(H2,20,22).
What are the key properties of 2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide?
2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 328.41 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 56820860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).