dihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate

C15H19ClNO6P — CID 166087043

IUPACdihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OCOP(O)O)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C15H19ClNO6P/c1-17(14(19)22-10-23-24(20)21)15(9-5-4-8-13(15)18)11-6-2-3-7-12(11)16/h2-3,6-7,20-21H,4-5,8-10H2,1H3
InChIKeyZSAYREUARUXKMX-UHFFFAOYSA-N
MW375.75 g/mol
LogP2.93
Rot. Bonds5

About dihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate

dihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate (PubChem CID 166087043) has the molecular formula C15H19ClNO6P and a molecular weight of 375.75 g/mol. Its IUPAC name is dihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Namedihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate
PubChem CID166087043
Molecular FormulaC15H19ClNO6P
Molecular Weight375.75 g/mol
Exact Mass375.06
IUPAC Namedihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OCOP(O)O)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C15H19ClNO6P/c1-17(14(19)22-10-23-24(20)21)15(9-5-4-8-13(15)18)11-6-2-3-7-12(11)16/h2-3,6-7,20-21H,4-5,8-10H2,1H3
InChIKeyZSAYREUARUXKMX-UHFFFAOYSA-N
XLogP2.93
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.75
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate 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

[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]oxymethyl 4-oxopentanoate
CID 158267948
[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]oxymethyl 2-acetamidoacetate
CID 146192254
[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]oxymethyl (2S,3R)-2-(dimethylamino)-3-methylpentanoate
CID 153445532
[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]oxymethyl (2S)-2-acetamidopropanoate
CID 146651319
propan-2-yl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate
CID 170263505
[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]oxymethyl (2S)-2-(ethylamino)-3-methylbutanoate;hydrochloride
CID 162717070
[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]oxymethyl 2-aminopyridine-3-carboxylate
CID 139320475
[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]oxymethyl (2S)-3-methyl-2-(2-oxopropyl)pentanoate
CID 161142693
1-chloroethyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate
CID 139320477
[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] propanoate
CID 55443861
[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]oxymethyl 4-methylpyridine-3-carboxylate
CID 139320491
chloromethane;(4-methylmorpholin-4-ium-4-yl)methyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate
CID 166087071

Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate?
The IUPAC name of dihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate (CID 166087043) is dihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate.
What is the SMILES notation for dihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate?
The canonical SMILES for dihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate is CN(C(=O)OCOP(O)O)C1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of dihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate?
The InChIKey is ZSAYREUARUXKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClNO6P/c1-17(14(19)22-10-23-24(20)21)15(9-5-4-8-13(15)18)11-6-2-3-7-12(11)16/h2-3,6-7,20-21H,4-5,8-10H2,1H3.
What are the key properties of dihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate?
dihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate has a molecular weight of 375.75 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphanyloxymethyl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 166087043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).