[2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate

C28H30N2O6 — CID 25246375

IUPAC[2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate
SMILESCOc1ccc(CN(Cc2ccccc2)C(=O)COC(C)=O)cc1COc1ccc(NC(C)=O)cc1
InChIInChI=1S/C28H30N2O6/c1-20(31)29-25-10-12-26(13-11-25)36-18-24-15-23(9-14-27(24)34-3)17-30(28(33)19-35-21(2)32)16-22-7-5-4-6-8-22/h4-15H,16-19H2,1-3H3,(H,29,31)
InChIKeyAXJWKUIPNBAXSH-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.32
Rot. Bonds11

About [2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate

[2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate (PubChem CID 25246375) has the molecular formula C28H30N2O6 and a molecular weight of 490.56 g/mol. Its IUPAC name is [2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate
PubChem CID25246375
Molecular FormulaC28H30N2O6
Molecular Weight490.56 g/mol
Exact Mass490.21
IUPAC Name[2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate
SMILESCOc1ccc(CN(Cc2ccccc2)C(=O)COC(C)=O)cc1COc1ccc(NC(C)=O)cc1
InChIInChI=1S/C28H30N2O6/c1-20(31)29-25-10-12-26(13-11-25)36-18-24-15-23(9-14-27(24)34-3)17-30(28(33)19-35-21(2)32)16-22-7-5-4-6-8-22/h4-15H,16-19H2,1-3H3,(H,29,31)
InChIKeyAXJWKUIPNBAXSH-UHFFFAOYSA-N
XLogP4.32
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate with MolForge

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Related Compounds

N-(4-methylphenyl)-2-[methyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
CID 4790602
2-(2-methylphenoxy)-N-(2-oxo-2H-chromen-6-yl)acetamide
CID 969017
2-(4-acetamidophenoxy)-N-(2-phenylethyl)acetamide
CID 2450951
2-(4-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 5178598
N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(2-methylphenoxy)acetamide
CID 6458731
2-{2-[(benzylamino)methyl]phenoxy}-N-phenylacetamide hydrochloride
CID 2962532
4-butoxy-N-{3,5-dimethyl-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}benzamide
CID 3853330
2-(2,4-dimethylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 889328
(R)-6-(2-Methoxy-benzyloxymethyl)-1-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-piperazin-2-one
CID 44402891
(R)-6-(4-Fluoro-3-methyl-benzyloxymethyl)-1-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-piperazin-2-one
CID 44402903
(R)-1-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phenyl}-6-(3-methyl-benzyloxymethyl)-piperazin-2-one
CID 44402907
4-(2-(4-(4-methoxyphenyl)piperazin-1-yl)-2-oxoethoxy)-2H-chromen-2-one
CID 118717726

Frequently Asked Questions

What is the IUPAC name of [2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate?
The IUPAC name of [2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate (CID 25246375) is [2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate is COc1ccc(CN(Cc2ccccc2)C(=O)COC(C)=O)cc1COc1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate?
The InChIKey is AXJWKUIPNBAXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O6/c1-20(31)29-25-10-12-26(13-11-25)36-18-24-15-23(9-14-27(24)34-3)17-30(28(33)19-35-21(2)32)16-22-7-5-4-6-8-22/h4-15H,16-19H2,1-3H3,(H,29,31).
What are the key properties of [2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate?
[2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate has a molecular weight of 490.56 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate is sourced from PubChem (CID 25246375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).