methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate

C26H24N2O6 — CID 26791246

IUPACmethyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
SMILESCOC(=O)[C@H](NC(=O)c1ccccc1C(=O)N[C@@H](C(=O)OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24N2O6/c1-33-25(31)21(17-11-5-3-6-12-17)27-23(29)19-15-9-10-16-20(19)24(30)28-22(26(32)34-2)18-13-7-4-8-14-18/h3-16,21-22H,1-2H3,(H,27,29)(H,28,30)/t21-,22-/m1/s1
InChIKeyHQXDQDPBSIPRSX-FGZHOGPDSA-N
MW460.49 g/mol
LogP2.97
Rot. Bonds8

About methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate

methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate (PubChem CID 26791246) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
PubChem CID26791246
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC Namemethyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
SMILESCOC(=O)[C@H](NC(=O)c1ccccc1C(=O)N[C@@H](C(=O)OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24N2O6/c1-33-25(31)21(17-11-5-3-6-12-17)27-23(29)19-15-9-10-16-20(19)24(30)28-22(26(32)34-2)18-13-7-4-8-14-18/h3-16,21-22H,1-2H3,(H,27,29)(H,28,30)/t21-,22-/m1/s1
InChIKeyHQXDQDPBSIPRSX-FGZHOGPDSA-N
XLogP2.97
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate
CID 62109453
methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate
CID 94817951
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetate
CID 62109188
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
methyl 2-[(4-iodobenzoyl)amino]-2-phenylacetate
CID 62109861
methyl 2-phenyl-2-[(3-phenylnaphthalene-1-carbonyl)amino]acetate
CID 10430798
methyl 2-[(3-hydroxypyridine-2-carbonyl)amino]-2-phenylacetate
CID 62109864
methyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 62111371
methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate
CID 71580592
2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
CID 90451481
methyl 2-phenyl-2-(propan-2-yloxycarbonylamino)acetate
CID 62115268

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate (CID 26791246) is methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate is COC(=O)[C@H](NC(=O)c1ccccc1C(=O)N[C@@H](C(=O)OC)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate?
The InChIKey is HQXDQDPBSIPRSX-FGZHOGPDSA-N. The full InChI is InChI=1S/C26H24N2O6/c1-33-25(31)21(17-11-5-3-6-12-17)27-23(29)19-15-9-10-16-20(19)24(30)28-22(26(32)34-2)18-13-7-4-8-14-18/h3-16,21-22H,1-2H3,(H,27,29)(H,28,30)/t21-,22-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate?
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate has a molecular weight of 460.49 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate is sourced from PubChem (CID 26791246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).