benzyl N-(1-dimethoxyphosphorylethyl)carbamate

C12H18NO5P — CID 12934329

IUPACbenzyl N-(1-dimethoxyphosphorylethyl)carbamate
SMILESCOP(=O)(OC)C(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H18NO5P/c1-10(19(15,16-2)17-3)13-12(14)18-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,13,14)
InChIKeyZSMIGAVXKKRMRJ-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.74
Rot. Bonds6

About benzyl N-(1-dimethoxyphosphorylethyl)carbamate

benzyl N-(1-dimethoxyphosphorylethyl)carbamate (PubChem CID 12934329) has the molecular formula C12H18NO5P and a molecular weight of 287.25 g/mol. Its IUPAC name is benzyl N-(1-dimethoxyphosphorylethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-dimethoxyphosphorylethyl)carbamate
PubChem CID12934329
Molecular FormulaC12H18NO5P
Molecular Weight287.25 g/mol
Exact Mass287.09
IUPAC Namebenzyl N-(1-dimethoxyphosphorylethyl)carbamate
SMILESCOP(=O)(OC)C(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H18NO5P/c1-10(19(15,16-2)17-3)13-12(14)18-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,13,14)
InChIKeyZSMIGAVXKKRMRJ-UHFFFAOYSA-N
XLogP2.74
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzyl N-(1-dimethoxyphosphorylethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-dimethoxyphosphorylethyl)carbamate?
The IUPAC name of benzyl N-(1-dimethoxyphosphorylethyl)carbamate (CID 12934329) is benzyl N-(1-dimethoxyphosphorylethyl)carbamate.
What is the SMILES notation for benzyl N-(1-dimethoxyphosphorylethyl)carbamate?
The canonical SMILES for benzyl N-(1-dimethoxyphosphorylethyl)carbamate is COP(=O)(OC)C(C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-dimethoxyphosphorylethyl)carbamate?
The InChIKey is ZSMIGAVXKKRMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO5P/c1-10(19(15,16-2)17-3)13-12(14)18-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,13,14).
What are the key properties of benzyl N-(1-dimethoxyphosphorylethyl)carbamate?
benzyl N-(1-dimethoxyphosphorylethyl)carbamate has a molecular weight of 287.25 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-dimethoxyphosphorylethyl)carbamate is sourced from PubChem (CID 12934329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).