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

C23H24N2O7 — CID 41090664

IUPACdimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C23H24N2O7/c1-30-21(27)16-10-17(22(28)31-2)12-18(11-16)24-20(26)13-19-23(29)32-9-8-25(19)14-15-6-4-3-5-7-15/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyFRWIWGRDVFALCW-LJQANCHMSA-N
MW440.45 g/mol
LogP2.02
Rot. Bonds7

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

dimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate (PubChem CID 41090664) has the molecular formula C23H24N2O7 and a molecular weight of 440.45 g/mol. Its IUPAC name is dimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate
PubChem CID41090664
Molecular FormulaC23H24N2O7
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC Namedimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C23H24N2O7/c1-30-21(27)16-10-17(22(28)31-2)12-18(11-16)24-20(26)13-19-23(29)32-9-8-25(19)14-15-6-4-3-5-7-15/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyFRWIWGRDVFALCW-LJQANCHMSA-N
XLogP2.02
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors8
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 ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide
CID 41475117
2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3-chlorophenyl)acetamide
CID 25420567
2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-phenoxyphenyl)acetamide
CID 41281603
dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 41000175
2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide
CID 40601796
2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(2-fluorophenyl)acetamide
CID 41475064
2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-naphthalen-1-ylacetamide
CID 41281593
dimethyl 5-[(2-phenylacetyl)amino]benzene-1,3-dicarboxylate
CID 668857
ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate
CID 40566787
2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 41009155
2-(4-ethyl-2-oxomorpholin-3-yl)-N-(2-methylphenyl)acetamide
CID 44611957
(3S)-4-benzyl-3-phenylmorpholin-2-one
CID 15871960

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate (CID 41090664) is dimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is FRWIWGRDVFALCW-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N2O7/c1-30-21(27)16-10-17(22(28)31-2)12-18(11-16)24-20(26)13-19-23(29)32-9-8-25(19)14-15-6-4-3-5-7-15/h3-7,10-12,19H,8-9,13-14H2,1-2H3,(H,24,26)/t19-/m1/s1.
What are the key properties of dimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-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 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 41090664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).