benzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate

C28H26NO4P — CID 15183613

IUPACbenzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate
SMILESO=C(NC(c1ccccc1)P(=O)(OCc1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C28H26NO4P/c30-28(32-21-23-13-5-1-6-14-23)29-27(25-17-9-3-10-18-25)34(31,26-19-11-4-12-20-26)33-22-24-15-7-2-8-16-24/h1-20,27H,21-22H2,(H,29,30)
InChIKeyRUHYGHBLBVSTBL-UHFFFAOYSA-N
MW471.49 g/mol
LogP6.43
Rot. Bonds9

About benzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate

benzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate (PubChem CID 15183613) has the molecular formula C28H26NO4P and a molecular weight of 471.49 g/mol. Its IUPAC name is benzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate
PubChem CID15183613
Molecular FormulaC28H26NO4P
Molecular Weight471.49 g/mol
Exact Mass471.16
IUPAC Namebenzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate
SMILESO=C(NC(c1ccccc1)P(=O)(OCc1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C28H26NO4P/c30-28(32-21-23-13-5-1-6-14-23)29-27(25-17-9-3-10-18-25)34(31,26-19-11-4-12-20-26)33-22-24-15-7-2-8-16-24/h1-20,27H,21-22H2,(H,29,30)
InChIKeyRUHYGHBLBVSTBL-UHFFFAOYSA-N
XLogP6.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.49
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate 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

ethyl 2-[phenyl-[phenyl-[[2-(phenylmethoxycarbonylamino)acetyl]amino]methyl]phosphoryl]oxyacetate
CID 135065879
benzyl N-[[methoxy(methyl)phosphoryl]-phenylmethyl]carbamate
CID 134104684
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
ethyl 2-[[(4-methylphenyl)-[[2-(phenylmethoxycarbonylamino)acetyl]amino]methyl]-phenylphosphoryl]oxyacetate
CID 135064632
benzyl N-[1-bis(phenylmethoxy)phosphoryl-3-methylbutyl]carbamate
CID 15855202
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
[(4-chlorophenyl)-(phenylmethoxycarbonylamino)methyl]-ethoxyphosphinic acid
CID 14959162
benzyl N-(1-aminobutan-2-yl)carbamate;hydrochloride
CID 45072684
benzyl N-[(1S)-1-dimethoxyphosphorylpropyl]carbamate
CID 101044856
phenyl-[phenyl-[[(2S)-2-(phenylmethoxycarbonylamino)propyl]sulfonylamino]methyl]phosphinic acid
CID 135065884
benzyl N-[dimethoxyphosphoryl-(3-methylphenyl)methyl]carbamate
CID 172774229

Frequently Asked Questions

What is the IUPAC name of benzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate?
The IUPAC name of benzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate (CID 15183613) is benzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate.
What is the SMILES notation for benzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate?
The canonical SMILES for benzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate is O=C(NC(c1ccccc1)P(=O)(OCc1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate?
The InChIKey is RUHYGHBLBVSTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26NO4P/c30-28(32-21-23-13-5-1-6-14-23)29-27(25-17-9-3-10-18-25)34(31,26-19-11-4-12-20-26)33-22-24-15-7-2-8-16-24/h1-20,27H,21-22H2,(H,29,30).
What are the key properties of benzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate?
benzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate has a molecular weight of 471.49 g/mol, XLogP of 6.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[phenyl-[phenyl(phenylmethoxy)phosphoryl]methyl]carbamate is sourced from PubChem (CID 15183613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).