[(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate

C28H32NO7P — CID 15475475

IUPAC[(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate
SMILESCCOP(=O)(OCC)[C@@H](OC(=O)[C@@H](OC)c1ccccc1)[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32NO7P/c1-4-34-37(32,35-5-2)28(36-27(31)25(33-3)22-17-11-7-12-18-22)24(21-15-9-6-10-16-21)29-26(30)23-19-13-8-14-20-23/h6-20,24-25,28H,4-5H2,1-3H3,(H,29,30)/t24-,25+,28-/m1/s1
InChIKeyGUDFTTOMVNZKCP-CERRFVOPSA-N
MW525.54 g/mol
LogP5.68
Rot. Bonds13

About [(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate

[(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate (PubChem CID 15475475) has the molecular formula C28H32NO7P and a molecular weight of 525.54 g/mol. Its IUPAC name is [(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate.

Molecular Properties

Compound Name[(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate
PubChem CID15475475
Molecular FormulaC28H32NO7P
Molecular Weight525.54 g/mol
Exact Mass525.19
IUPAC Name[(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate
SMILESCCOP(=O)(OCC)[C@@H](OC(=O)[C@@H](OC)c1ccccc1)[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32NO7P/c1-4-34-37(32,35-5-2)28(36-27(31)25(33-3)22-17-11-7-12-18-22)24(21-15-9-6-10-16-21)29-26(30)23-19-13-8-14-20-23/h6-20,24-25,28H,4-5H2,1-3H3,(H,29,30)/t24-,25+,28-/m1/s1
InChIKeyGUDFTTOMVNZKCP-CERRFVOPSA-N
XLogP5.68
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.54
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-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

[(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate
CID 23420739
N-[(1S)-1-diethoxyphosphoryl-2-oxoethyl]benzamide
CID 40537671
N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
CID 14923152
N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide
CID 2324721
methyl (2S,3S)-2-acetyloxy-3-benzamido-3-phenylpropanoate
CID 11110608
N-(1-methoxypropyl)benzamide
CID 102478557
methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate
CID 2133146
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
ethyl (2S,3S)-3-benzamido-2-hydroxy-3-(4-methylphenyl)propanoate
CID 163362380
ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 175230442
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
N-(1-aminobutan-2-yl)-2-methoxy-2-phenylacetamide
CID 63753357

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate?
The IUPAC name of [(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate (CID 15475475) is [(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate.
What is the SMILES notation for [(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate?
The canonical SMILES for [(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate is CCOP(=O)(OCC)[C@@H](OC(=O)[C@@H](OC)c1ccccc1)[C@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate?
The InChIKey is GUDFTTOMVNZKCP-CERRFVOPSA-N. The full InChI is InChI=1S/C28H32NO7P/c1-4-34-37(32,35-5-2)28(36-27(31)25(33-3)22-17-11-7-12-18-22)24(21-15-9-6-10-16-21)29-26(30)23-19-13-8-14-20-23/h6-20,24-25,28H,4-5H2,1-3H3,(H,29,30)/t24-,25+,28-/m1/s1.
What are the key properties of [(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate?
[(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate has a molecular weight of 525.54 g/mol, XLogP of 5.68, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate is sourced from PubChem (CID 15475475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).