ethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate

C23H22NO4P — CID 3090786

IUPACethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate
SMILESCCOC(=O)NC(C(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22NO4P/c1-2-28-23(26)24-22(21(25)18-12-6-3-7-13-18)29(27,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,22H,2H2,1H3,(H,24,26)
InChIKeyHCYMYNFYSGDIGL-UHFFFAOYSA-N
MW407.41 g/mol
LogP3.96
Rot. Bonds7

About ethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate

ethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate (PubChem CID 3090786) has the molecular formula C23H22NO4P and a molecular weight of 407.41 g/mol. Its IUPAC name is ethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate
PubChem CID3090786
Molecular FormulaC23H22NO4P
Molecular Weight407.41 g/mol
Exact Mass407.13
IUPAC Nameethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate
SMILESCCOC(=O)NC(C(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22NO4P/c1-2-28-23(26)24-22(21(25)18-12-6-3-7-13-18)29(27,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,22H,2H2,1H3,(H,24,26)
InChIKeyHCYMYNFYSGDIGL-UHFFFAOYSA-N
XLogP3.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(1S)-1-diethoxyphosphoryl-2-oxo-2-phenylethyl]carbamate
CID 2133146
benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate
CID 102190004
ethyl 2-diphenylphosphorylbutanoate
CID 3289808
ethyl (2S,3R)-3-benzamido-2-methylbutanoate
CID 162414540
2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
ethyl N-[1-(2,4-dimethylanilino)-2-oxo-2-phenylethyl]carbamate
CID 45155644
ethyl N-[(1S)-1-(2,4-dimethylanilino)-2-oxo-2-phenylethyl]carbamate
CID 35580456
ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 11132476
ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 9033040
ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 12734045
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
ethyl N-[1-(2-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 102157365

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate?
The IUPAC name of ethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate (CID 3090786) is ethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate.
What is the SMILES notation for ethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate?
The canonical SMILES for ethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate is CCOC(=O)NC(C(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate?
The InChIKey is HCYMYNFYSGDIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22NO4P/c1-2-28-23(26)24-22(21(25)18-12-6-3-7-13-18)29(27,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,22H,2H2,1H3,(H,24,26).
What are the key properties of ethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate?
ethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate has a molecular weight of 407.41 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-diphenylphosphoryl-2-oxo-2-phenylethyl)carbamate is sourced from PubChem (CID 3090786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).