methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate

C38H44N2O8 — CID 159258346

IUPACmethyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CNCC(N)=O)c1.COC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CO)c1
InChIInChI=1S/C20H24N2O4.C18H20O4/c1-13-4-6-16(15(8-13)11-22-12-19(21)23)17-9-14(10-20(24)26-3)5-7-18(17)25-2;1-12-4-6-15(14(8-12)11-19)16-9-13(10-18(20)22-3)5-7-17(16)21-2/h4-9,22H,10-12H2,1-3H3,(H2,21,23);4-9,19H,10-11H2,1-3H3
InChIKeyKWENKFGUYREVBP-UHFFFAOYSA-N
MW656.78 g/mol
LogP4.84
Rot. Bonds13

About methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate

methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate (PubChem CID 159258346) has the molecular formula C38H44N2O8 and a molecular weight of 656.78 g/mol. Its IUPAC name is methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate
PubChem CID159258346
Molecular FormulaC38H44N2O8
Molecular Weight656.78 g/mol
Exact Mass656.31
IUPAC Namemethyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CNCC(N)=O)c1.COC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CO)c1
InChIInChI=1S/C20H24N2O4.C18H20O4/c1-13-4-6-16(15(8-13)11-22-12-19(21)23)17-9-14(10-20(24)26-3)5-7-18(17)25-2;1-12-4-6-15(14(8-12)11-19)16-9-13(10-18(20)22-3)5-7-17(16)21-2/h4-9,22H,10-12H2,1-3H3,(H2,21,23);4-9,19H,10-11H2,1-3H3
InChIKeyKWENKFGUYREVBP-UHFFFAOYSA-N
XLogP4.84
TPSA146.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.78
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate with MolForge

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Related Compounds

methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate
CID 58149067
ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate
CID 58149135
2-[3-[2-[(cyclopropylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148950
methyl 2-[3-[2-[1-(ethylamino)ethyl]-4-methylphenyl]-4-methoxyphenyl]acetate
CID 58148996
ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate
CID 58460068
3-[(2-methoxy-5-methylphenyl)methylamino]propanamide
CID 43423932
2-[3-[2-[[acetyl(methyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58149215
2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide
CID 16773062
ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate
CID 58565023
benzyl 3-[[5-carboxyoxy-2-[5-(2-ethoxy-2-oxoethyl)-2-methoxyphenyl]phenyl]methylamino]propanoate
CID 118619870
2-[3-[2-[[[benzyl(ethyl)carbamoyl]amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148876
2-[(6-methylnaphthalen-2-yl)methylamino]acetamide
CID 115259951

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate?
The IUPAC name of methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate (CID 159258346) is methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate.
What is the SMILES notation for methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate?
The canonical SMILES for methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate is COC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CNCC(N)=O)c1.COC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CO)c1.
What is the InChIKey of methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate?
The InChIKey is KWENKFGUYREVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4.C18H20O4/c1-13-4-6-16(15(8-13)11-22-12-19(21)23)17-9-14(10-20(24)26-3)5-7-18(17)25-2;1-12-4-6-15(14(8-12)11-19)16-9-13(10-18(20)22-3)5-7-17(16)21-2/h4-9,22H,10-12H2,1-3H3,(H2,21,23);4-9,19H,10-11H2,1-3H3.
What are the key properties of methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate?
methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate has a molecular weight of 656.78 g/mol, XLogP of 4.84, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate is sourced from PubChem (CID 159258346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).