2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate

C18H20N2O5 — CID 4644419

IUPAC2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCOCCOC(=O)Nc1ccccc1
InChIInChI=1S/C18H20N2O5/c21-17(19-15-7-3-1-4-8-15)24-13-11-23-12-14-25-18(22)20-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22)
InChIKeyRYIKJWYPCWVWIB-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.50
Rot. Bonds8

About 2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate

2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate (PubChem CID 4644419) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate.

Molecular Properties

Compound Name2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
PubChem CID4644419
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCOCCOC(=O)Nc1ccccc1
InChIInChI=1S/C18H20N2O5/c21-17(19-15-7-3-1-4-8-15)24-13-11-23-12-14-25-18(22)20-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22)
InChIKeyRYIKJWYPCWVWIB-UHFFFAOYSA-N
XLogP3.50
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate 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

2-ethoxyethyl N-phenylcarbamate
CID 4101389
2-[2-(3-sulfanylpropylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 88978473
8-(phenylcarbamoyloxy)octa-3,5-diynyl N-phenylcarbamate
CID 15528686
benzene;5-carbamoyloxypentyl N-phenylcarbamate
CID 157392925
3-methylbutyl N-phenylcarbamate
CID 69480810
dodecyl N-phenylcarbamate
CID 521818
3,5-bis(phenylcarbamoyloxy)pentyl N-phenylcarbamate
CID 20688817
2-(phenylcarbamoylsulfanyl)ethyl N-phenylcarbamate
CID 58663822
2-(benzenesulfonyl)ethyl N-phenylcarbamate
CID 14081594
2-nitroethyl N-phenylcarbamate
CID 154110399
2-(1,3,2-dioxaphospholan-2-yloxy)ethyl N-phenylcarbamate
CID 23414889
[(E)-16-(phenylcarbamoyloxy)hexadec-8-enyl] N-phenylcarbamate
CID 134983552

Frequently Asked Questions

What is the IUPAC name of 2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate?
The IUPAC name of 2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate (CID 4644419) is 2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate.
What is the SMILES notation for 2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate?
The canonical SMILES for 2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCCOCCOC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate?
The InChIKey is RYIKJWYPCWVWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c21-17(19-15-7-3-1-4-8-15)24-13-11-23-12-14-25-18(22)20-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22).
What are the key properties of 2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate?
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate has a molecular weight of 344.37 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate is sourced from PubChem (CID 4644419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).