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

C36H35N2O4P — CID 11975937

IUPACbenzyl N-[[methoxy-[(tritylamino)methyl]phosphoryl]-phenylmethyl]carbamate
SMILESCOP(=O)(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C36H35N2O4P/c1-41-43(40,34(30-19-9-3-10-20-30)38-35(39)42-27-29-17-7-2-8-18-29)28-37-36(31-21-11-4-12-22-31,32-23-13-5-14-24-32)33-25-15-6-16-26-33/h2-26,34,37H,27-28H2,1H3,(H,38,39)
InChIKeySWPAZKGPYYMATF-UHFFFAOYSA-N
MW590.66 g/mol
LogP8.08
Rot. Bonds12

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

benzyl N-[[methoxy-[(tritylamino)methyl]phosphoryl]-phenylmethyl]carbamate (PubChem CID 11975937) has the molecular formula C36H35N2O4P and a molecular weight of 590.66 g/mol. Its IUPAC name is benzyl N-[[methoxy-[(tritylamino)methyl]phosphoryl]-phenylmethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[methoxy-[(tritylamino)methyl]phosphoryl]-phenylmethyl]carbamate
PubChem CID11975937
Molecular FormulaC36H35N2O4P
Molecular Weight590.66 g/mol
Exact Mass590.23
IUPAC Namebenzyl N-[[methoxy-[(tritylamino)methyl]phosphoryl]-phenylmethyl]carbamate
SMILESCOP(=O)(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C36H35N2O4P/c1-41-43(40,34(30-19-9-3-10-20-30)38-35(39)42-27-29-17-7-2-8-18-29)28-37-36(31-21-11-4-12-22-31,32-23-13-5-14-24-32)33-25-15-6-16-26-33/h2-26,34,37H,27-28H2,1H3,(H,38,39)
InChIKeySWPAZKGPYYMATF-UHFFFAOYSA-N
XLogP8.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.66
LogP ≤ 58.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[[methoxy-[1-(tritylamino)ethyl]phosphoryl]-phenylmethyl]carbamate
CID 11975938
benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate
CID 134104684
benzyl N-[dimethoxyphosphoryl-(3-methylphenyl)methyl]carbamate
CID 172774229
benzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate
CID 15183613
methyl 2,2,3-triphenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 73441193
methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 2734718
methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 12074004
methoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 11824259
benzyl N-[(1S)-1-dimethoxyphosphorylpropyl]carbamate
CID 101044856
benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate
CID 23420220
benzyl N-(1,1-dimethoxybutan-2-yl)carbamate
CID 131091159
benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate
CID 102190004

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[methoxy-[(tritylamino)methyl]phosphoryl]-phenylmethyl]carbamate?
The IUPAC name of benzyl N-[[methoxy-[(tritylamino)methyl]phosphoryl]-phenylmethyl]carbamate (CID 11975937) is benzyl N-[[methoxy-[(tritylamino)methyl]phosphoryl]-phenylmethyl]carbamate.
What is the SMILES notation for benzyl N-[[methoxy-[(tritylamino)methyl]phosphoryl]-phenylmethyl]carbamate?
The canonical SMILES for benzyl N-[[methoxy-[(tritylamino)methyl]phosphoryl]-phenylmethyl]carbamate is COP(=O)(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[[methoxy-[(tritylamino)methyl]phosphoryl]-phenylmethyl]carbamate?
The InChIKey is SWPAZKGPYYMATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N2O4P/c1-41-43(40,34(30-19-9-3-10-20-30)38-35(39)42-27-29-17-7-2-8-18-29)28-37-36(31-21-11-4-12-22-31,32-23-13-5-14-24-32)33-25-15-6-16-26-33/h2-26,34,37H,27-28H2,1H3,(H,38,39).
What are the key properties of benzyl N-[[methoxy-[(tritylamino)methyl]phosphoryl]-phenylmethyl]carbamate?
benzyl N-[[methoxy-[(tritylamino)methyl]phosphoryl]-phenylmethyl]carbamate has a molecular weight of 590.66 g/mol, XLogP of 8.08, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[methoxy-[(tritylamino)methyl]phosphoryl]-phenylmethyl]carbamate is sourced from PubChem (CID 11975937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).