benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate

C18H20NO6P — CID 102190004

IUPACbenzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate
SMILESCOP(=O)(OC)C(NC(=O)OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H20NO6P/c1-23-26(22,24-2)17(16(20)15-11-7-4-8-12-15)19-18(21)25-13-14-9-5-3-6-10-14/h3-12,17H,13H2,1-2H3,(H,19,21)
InChIKeyNRNMOIDJCCVGKQ-UHFFFAOYSA-N
MW377.33 g/mol
LogP3.61
Rot. Bonds8

About benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate

benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate (PubChem CID 102190004) has the molecular formula C18H20NO6P and a molecular weight of 377.33 g/mol. Its IUPAC name is benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate
PubChem CID102190004
Molecular FormulaC18H20NO6P
Molecular Weight377.33 g/mol
Exact Mass377.10
IUPAC Namebenzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate
SMILESCOP(=O)(OC)C(NC(=O)OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H20NO6P/c1-23-26(22,24-2)17(16(20)15-11-7-4-8-12-15)19-18(21)25-13-14-9-5-3-6-10-14/h3-12,17H,13H2,1-2H3,(H,19,21)
InChIKeyNRNMOIDJCCVGKQ-UHFFFAOYSA-N
XLogP3.61
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 2734718
benzyl N-(1-dimethoxyphosphoryl-2-oxobutyl)carbamate
CID 59913356
benzyl N-[(1S)-1-dimethoxyphosphorylpropyl]carbamate
CID 101044856
benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 27308455
N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide
CID 102237286
benzyl N-[(2S)-1-[[(2S)-1-[[(1R)-1-dimethoxyphosphorylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 54326340
methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 12074004
ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 11132476
methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 23213402
benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate
CID 102392968
benzyl N-[(2S)-1-oxo-1-[(1-oxo-1,3-diphenylpropan-2-yl)amino]-3-phenylpropan-2-yl]carbamate
CID 12968144
benzyl N-[dimethoxyphosphoryl-(3-methylphenyl)methyl]carbamate
CID 172774229

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate?
The IUPAC name of benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate (CID 102190004) is benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate.
What is the SMILES notation for benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate?
The canonical SMILES for benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate is COP(=O)(OC)C(NC(=O)OCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate?
The InChIKey is NRNMOIDJCCVGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20NO6P/c1-23-26(22,24-2)17(16(20)15-11-7-4-8-12-15)19-18(21)25-13-14-9-5-3-6-10-14/h3-12,17H,13H2,1-2H3,(H,19,21).
What are the key properties of benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate?
benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate has a molecular weight of 377.33 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate is sourced from PubChem (CID 102190004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).