benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate

C17H20NO4P — CID 134104684

IUPACbenzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate
SMILESCOP(C)(=O)C(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20NO4P/c1-21-23(2,20)16(15-11-7-4-8-12-15)18-17(19)22-13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3,(H,18,19)
InChIKeyFNOBATASIMRFIJ-UHFFFAOYSA-N
MW333.32 g/mol
LogP4.17
Rot. Bonds6

About benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate

benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate (PubChem CID 134104684) has the molecular formula C17H20NO4P and a molecular weight of 333.32 g/mol. Its IUPAC name is benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate
PubChem CID134104684
Molecular FormulaC17H20NO4P
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Namebenzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate
SMILESCOP(C)(=O)C(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20NO4P/c1-21-23(2,20)16(15-11-7-4-8-12-15)18-17(19)22-13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3,(H,18,19)
InChIKeyFNOBATASIMRFIJ-UHFFFAOYSA-N
XLogP4.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 54.17
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

benzyl N-[dimethoxyphosphoryl-(3-methylphenyl)methyl]carbamate
CID 172774229
benzyl N-[[methoxy-[(tritylamino)methyl]phosphoryl]-phenylmethyl]carbamate
CID 11975937
benzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate
CID 15183613
benzyl N-[[methoxy-[1-(tritylamino)ethyl]phosphoryl]-phenylmethyl]carbamate
CID 11975938
methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 2734718
methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 12074004
benzyl N-[(1S)-1-dimethoxyphosphorylpropyl]carbamate
CID 101044856
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate
CID 102190004
benzyl N-[diethoxyphosphoryl-(3-methoxyphenyl)methyl]carbamate
CID 23420217
methyl (3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 22865507

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate?
The IUPAC name of benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate (CID 134104684) is benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate.
What is the SMILES notation for benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate?
The canonical SMILES for benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate is COP(C)(=O)C(NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate?
The InChIKey is FNOBATASIMRFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NO4P/c1-21-23(2,20)16(15-11-7-4-8-12-15)18-17(19)22-13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3,(H,18,19).
What are the key properties of benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate?
benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate has a molecular weight of 333.32 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate is sourced from PubChem (CID 134104684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).