2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate

C10H21NO5 — CID 177163981

IUPAC2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate
SMILESCCCOCCOCCOCCOC(N)=O
InChIInChI=1S/C10H21NO5/c1-2-3-13-4-5-14-6-7-15-8-9-16-10(11)12/h2-9H2,1H3,(H2,11,12)
InChIKeyAFBUFDTZWDVYIW-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.54
Rot. Bonds11

About 2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate

2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate (PubChem CID 177163981) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate.

Molecular Properties

Compound Name2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate
PubChem CID177163981
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate
SMILESCCCOCCOCCOCCOC(N)=O
InChIInChI=1S/C10H21NO5/c1-2-3-13-4-5-14-6-7-15-8-9-16-10(11)12/h2-9H2,1H3,(H2,11,12)
InChIKeyAFBUFDTZWDVYIW-UHFFFAOYSA-N
XLogP0.54
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate 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-(2-Methylpropoxy)ethyl carbamate
CID 27622
Ethanol, 2-(1-methylethoxy)-, 1-carbamate
CID 50005
Carbamic acid, (2-ethoxyethyl) ester
CID 12349
Carbamic acid, (2-butoxyethyl)ester
CID 27621
Carbamic acid, (2-pentoxyethyl) ester
CID 50407
Carbamic acid, (2-propoxyethyl) ester
CID 50408
Carbamic acid, (2-(1-ethylpropoxy)ethyl) ester
CID 50401
Carbamic acid, (2-(1-methylbutoxy)ethyl) ester
CID 50403
2-(2-Methylbutoxy)ethyl hydrogen carbonimidate
CID 50404
Carbamic acid, (2-(3-methylbutoxy)ethyl) ester
CID 50405
2-((Butan-2-yl)oxy)ethyl hydrogen carbonimidate
CID 50406
2-(2-Methoxyethoxy)ethyl carbamate
CID 53824075

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate?
The IUPAC name of 2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate (CID 177163981) is 2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate.
What is the SMILES notation for 2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate?
The canonical SMILES for 2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate is CCCOCCOCCOCCOC(N)=O.
What is the InChIKey of 2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate?
The InChIKey is AFBUFDTZWDVYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5/c1-2-3-13-4-5-14-6-7-15-8-9-16-10(11)12/h2-9H2,1H3,(H2,11,12).
What are the key properties of 2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate?
2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate has a molecular weight of 235.28 g/mol, XLogP of 0.54, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate is sourced from PubChem (CID 177163981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).