2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate

C11H14NO5P — CID 23414889

IUPAC2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCOP1OCCO1
InChIInChI=1S/C11H14NO5P/c13-11(12-10-4-2-1-3-5-10)14-6-7-15-18-16-8-9-17-18/h1-5H,6-9H2,(H,12,13)
InChIKeyQVWSRXVXTDPNRJ-UHFFFAOYSA-N
MW271.21 g/mol
LogP2.53
Rot. Bonds5

About 2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate

2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate (PubChem CID 23414889) has the molecular formula C11H14NO5P and a molecular weight of 271.21 g/mol. Its IUPAC name is 2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate.

Molecular Properties

Compound Name2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate
PubChem CID23414889
Molecular FormulaC11H14NO5P
Molecular Weight271.21 g/mol
Exact Mass271.06
IUPAC Name2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCOP1OCCO1
InChIInChI=1S/C11H14NO5P/c13-11(12-10-4-2-1-3-5-10)14-6-7-15-18-16-8-9-17-18/h1-5H,6-9H2,(H,12,13)
InChIKeyQVWSRXVXTDPNRJ-UHFFFAOYSA-N
XLogP2.53
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
2-ethoxyethyl N-phenylcarbamate
CID 4101389
8-(phenylcarbamoyloxy)octa-3,5-diynyl N-phenylcarbamate
CID 15528686
3-methylbutyl N-phenylcarbamate
CID 69480810
benzene;5-carbamoyloxypentyl N-phenylcarbamate
CID 157392925
2-(phenylcarbamoylsulfanyl)ethyl N-phenylcarbamate
CID 58663822
3,5-bis(phenylcarbamoyloxy)pentyl N-phenylcarbamate
CID 20688817
dodecyl N-phenylcarbamate
CID 521818
2-(benzenesulfonyl)ethyl N-phenylcarbamate
CID 14081594
2-nitroethyl N-phenylcarbamate
CID 154110399
2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate
CID 2244794
[(E)-16-(phenylcarbamoyloxy)hexadec-8-enyl] N-phenylcarbamate
CID 134983552

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate?
The IUPAC name of 2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate (CID 23414889) is 2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate.
What is the SMILES notation for 2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate?
The canonical SMILES for 2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCCOP1OCCO1.
What is the InChIKey of 2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate?
The InChIKey is QVWSRXVXTDPNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO5P/c13-11(12-10-4-2-1-3-5-10)14-6-7-15-18-16-8-9-17-18/h1-5H,6-9H2,(H,12,13).
What are the key properties of 2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate?
2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate has a molecular weight of 271.21 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate is sourced from PubChem (CID 23414889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).