dimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate

C22H25NO7 — CID 8885961

IUPACdimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate
SMILESCOCCN(Cc1ccccc1)C(=O)COc1cc(C(=O)OC)cc(C(=O)OC)c1
InChIInChI=1S/C22H25NO7/c1-27-10-9-23(14-16-7-5-4-6-8-16)20(24)15-30-19-12-17(21(25)28-2)11-18(13-19)22(26)29-3/h4-8,11-13H,9-10,14-15H2,1-3H3
InChIKeySUENYEHLCSWXEG-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.31
Rot. Bonds10

About dimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate

dimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate (PubChem CID 8885961) has the molecular formula C22H25NO7 and a molecular weight of 415.44 g/mol. Its IUPAC name is dimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate
PubChem CID8885961
Molecular FormulaC22H25NO7
Molecular Weight415.44 g/mol
Exact Mass415.16
IUPAC Namedimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate
SMILESCOCCN(Cc1ccccc1)C(=O)COc1cc(C(=O)OC)cc(C(=O)OC)c1
InChIInChI=1S/C22H25NO7/c1-27-10-9-23(14-16-7-5-4-6-8-16)20(24)15-30-19-12-17(21(25)28-2)11-18(13-19)22(26)29-3/h4-8,11-13H,9-10,14-15H2,1-3H3
InChIKeySUENYEHLCSWXEG-UHFFFAOYSA-N
XLogP2.31
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 9289798
2-(2-acetamidophenoxy)-N-benzyl-N-(2-methoxyethyl)acetamide
CID 9017946
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015831
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
dimethyl 5-(6-phenylhexoxy)benzene-1,3-dicarboxylate
CID 19930284
N-benzyl-N-(2-methoxyethyl)-2-(2-methoxyethylamino)acetamide
CID 78914153
N-benzyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79205106
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 9491157
[2-methoxy-5-[[2-methoxyethyl-(2-phenoxyacetyl)amino]methyl]phenyl] methanesulfonate
CID 4221810
N,N-bis(2-methoxyethyl)-2-naphthalen-2-yloxyacetamide
CID 78763769
N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
CID 80633118

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate (CID 8885961) is dimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate is COCCN(Cc1ccccc1)C(=O)COc1cc(C(=O)OC)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate?
The InChIKey is SUENYEHLCSWXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO7/c1-27-10-9-23(14-16-7-5-4-6-8-16)20(24)15-30-19-12-17(21(25)28-2)11-18(13-19)22(26)29-3/h4-8,11-13H,9-10,14-15H2,1-3H3.
What are the key properties of dimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate?
dimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate has a molecular weight of 415.44 g/mol, XLogP of 2.31, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate is sourced from PubChem (CID 8885961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).