dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate

C23H24N2O7 — CID 41000175

IUPACdimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)C[C@@H]2OCCN(Cc3ccccc3)C2=O)cc(C(=O)OC)c1
InChIInChI=1S/C23H24N2O7/c1-30-22(28)16-10-17(23(29)31-2)12-18(11-16)24-20(26)13-19-21(27)25(8-9-32-19)14-15-6-4-3-5-7-15/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKeyGEZUUQMKMZPPML-IBGZPJMESA-N
MW440.45 g/mol
LogP2.02
Rot. Bonds7

About dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate (PubChem CID 41000175) has the molecular formula C23H24N2O7 and a molecular weight of 440.45 g/mol. Its IUPAC name is dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
PubChem CID41000175
Molecular FormulaC23H24N2O7
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC Namedimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)C[C@@H]2OCCN(Cc3ccccc3)C2=O)cc(C(=O)OC)c1
InChIInChI=1S/C23H24N2O7/c1-30-22(28)16-10-17(23(29)31-2)12-18(11-16)24-20(26)13-19-21(27)25(8-9-32-19)14-15-6-4-3-5-7-15/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,24,26)/t19-/m0/s1
InChIKeyGEZUUQMKMZPPML-IBGZPJMESA-N
XLogP2.02
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide
CID 941057
dimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 41090664
[2-oxo-2-(4-phenylphenyl)ethyl] 4-[[2-(4-benzyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
CID 21170255
methyl 4-[[2-[4-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]-3-oxomorpholin-2-yl]acetyl]amino]benzoate
CID 53277602
2-(4-benzyl-3-oxomorpholin-2-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 4231893
dimethyl 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylate
CID 668857
phenacyl 4-[[2-(4-ethyl-3-oxomorpholin-2-yl)acetyl]amino]benzoate
CID 22778078
[2-(2-chlorophenyl)-2-oxoethyl] 4-[[2-(3-oxo-4-propylmorpholin-2-yl)acetyl]amino]benzoate
CID 23096997
[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[2-[3-oxo-4-(thiophen-2-ylmethyl)morpholin-2-yl]acetyl]amino]benzoate
CID 21167618
2-(4-ethyl-3-oxomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2955032
4-benzyl-2-[(4-methylphenyl)methyl]morpholin-3-one
CID 142864915
N-(4-iodophenyl)-2-[3-oxo-4-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]morpholin-2-yl]acetamide
CID 53296202

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate (CID 41000175) is dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)C[C@@H]2OCCN(Cc3ccccc3)C2=O)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is GEZUUQMKMZPPML-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N2O7/c1-30-22(28)16-10-17(23(29)31-2)12-18(11-16)24-20(26)13-19-21(27)25(8-9-32-19)14-15-6-4-3-5-7-15/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,24,26)/t19-/m0/s1.
What are the key properties of dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 440.45 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 41000175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).