2-(2-hexoxyethoxy)ethylcarbamic acid

C11H23NO4 — CID 90014207

IUPAC2-(2-hexoxyethoxy)ethylcarbamic acid
SMILESCCCCCCOCCOCCNC(=O)O
InChIInChI=1S/C11H23NO4/c1-2-3-4-5-7-15-9-10-16-8-6-12-11(13)14/h12H,2-10H2,1H3,(H,13,14)
InChIKeyWUUNHMHAWDGCHQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.87
Rot. Bonds11

About 2-(2-hexoxyethoxy)ethylcarbamic acid

2-(2-hexoxyethoxy)ethylcarbamic acid (PubChem CID 90014207) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-hexoxyethoxy)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2-hexoxyethoxy)ethylcarbamic acid
PubChem CID90014207
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-(2-hexoxyethoxy)ethylcarbamic acid
SMILESCCCCCCOCCOCCNC(=O)O
InChIInChI=1S/C11H23NO4/c1-2-3-4-5-7-15-9-10-16-8-6-12-11(13)14/h12H,2-10H2,1H3,(H,13,14)
InChIKeyWUUNHMHAWDGCHQ-UHFFFAOYSA-N
XLogP1.87
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-hexoxyethoxy)ethylcarbamic acid 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-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606
N-[2-(2-heptoxyethoxy)ethyl]propanamide
CID 154643004
bis(2-octoxy-N-(2-octoxyethyl)ethanamine);oxalic acid
CID 171700708
2-[2-[2-[3-[2-[hexadecanoyl(methyl)amino]ethyl-methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 174207545
2-methyl-N-(2-pentoxyethyl)butanamide
CID 170952196
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]decanamide
CID 129058822
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide
CID 101129520
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101104501
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
3-(2-heptoxyethoxy)propanoic acid
CID 71368458

Frequently Asked Questions

What is the IUPAC name of 2-(2-hexoxyethoxy)ethylcarbamic acid?
The IUPAC name of 2-(2-hexoxyethoxy)ethylcarbamic acid (CID 90014207) is 2-(2-hexoxyethoxy)ethylcarbamic acid.
What is the SMILES notation for 2-(2-hexoxyethoxy)ethylcarbamic acid?
The canonical SMILES for 2-(2-hexoxyethoxy)ethylcarbamic acid is CCCCCCOCCOCCNC(=O)O.
What is the InChIKey of 2-(2-hexoxyethoxy)ethylcarbamic acid?
The InChIKey is WUUNHMHAWDGCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-2-3-4-5-7-15-9-10-16-8-6-12-11(13)14/h12H,2-10H2,1H3,(H,13,14).
What are the key properties of 2-(2-hexoxyethoxy)ethylcarbamic acid?
2-(2-hexoxyethoxy)ethylcarbamic acid has a molecular weight of 233.31 g/mol, XLogP of 1.87, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexoxyethoxy)ethylcarbamic acid is sourced from PubChem (CID 90014207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).