9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate

C18H20NO5P — CID 15339929

IUPAC9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate
SMILESCOP(=O)(CNC(=O)OCC1c2ccccc2-c2ccccc21)OC
InChIInChI=1S/C18H20NO5P/c1-22-25(21,23-2)12-19-18(20)24-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,11-12H2,1-2H3,(H,19,20)
InChIKeyXMTUKANBWKSLSF-UHFFFAOYSA-N
MW361.33 g/mol
LogP3.97
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate

9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate (PubChem CID 15339929) has the molecular formula C18H20NO5P and a molecular weight of 361.33 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate
PubChem CID15339929
Molecular FormulaC18H20NO5P
Molecular Weight361.33 g/mol
Exact Mass361.11
IUPAC Name9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate
SMILESCOP(=O)(CNC(=O)OCC1c2ccccc2-c2ccccc21)OC
InChIInChI=1S/C18H20NO5P/c1-22-25(21,23-2)12-19-18(20)24-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,11-12H2,1-2H3,(H,19,20)
InChIKeyXMTUKANBWKSLSF-UHFFFAOYSA-N
XLogP3.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171617165
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
methyl (3S)-3-amino-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 11784622
CID 58624123
CID 58624123
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
CID 102476302
methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate
CID 24720878

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate (CID 15339929) is 9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate is COP(=O)(CNC(=O)OCC1c2ccccc2-c2ccccc21)OC.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate?
The InChIKey is XMTUKANBWKSLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20NO5P/c1-22-25(21,23-2)12-19-18(20)24-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate?
9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate has a molecular weight of 361.33 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate is sourced from PubChem (CID 15339929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).