2-hydroxyethyl N,N-diethylcarbamate

C7H15NO3 — CID 15560804

IUPAC2-hydroxyethyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCCO
InChIInChI=1S/C7H15NO3/c1-3-8(4-2)7(10)11-6-5-9/h9H,3-6H2,1-2H3
InChIKeySGZWGEWAWXRKCA-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.46
Rot. Bonds4

About 2-hydroxyethyl N,N-diethylcarbamate

2-hydroxyethyl N,N-diethylcarbamate (PubChem CID 15560804) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-hydroxyethyl N,N-diethylcarbamate.

Molecular Properties

Compound Name2-hydroxyethyl N,N-diethylcarbamate
PubChem CID15560804
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-hydroxyethyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCCO
InChIInChI=1S/C7H15NO3/c1-3-8(4-2)7(10)11-6-5-9/h9H,3-6H2,1-2H3
InChIKeySGZWGEWAWXRKCA-UHFFFAOYSA-N
XLogP0.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N,N-diethylcarbamate?
The IUPAC name of 2-hydroxyethyl N,N-diethylcarbamate (CID 15560804) is 2-hydroxyethyl N,N-diethylcarbamate.
What is the SMILES notation for 2-hydroxyethyl N,N-diethylcarbamate?
The canonical SMILES for 2-hydroxyethyl N,N-diethylcarbamate is CCN(CC)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N,N-diethylcarbamate?
The InChIKey is SGZWGEWAWXRKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-8(4-2)7(10)11-6-5-9/h9H,3-6H2,1-2H3.
What are the key properties of 2-hydroxyethyl N,N-diethylcarbamate?
2-hydroxyethyl N,N-diethylcarbamate has a molecular weight of 161.20 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N,N-diethylcarbamate is sourced from PubChem (CID 15560804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).