2-hydroxypropyl N,N-diethylcarbamate

C8H17NO3 — CID 12567902

IUPAC2-hydroxypropyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC(C)O
InChIInChI=1S/C8H17NO3/c1-4-9(5-2)8(11)12-6-7(3)10/h7,10H,4-6H2,1-3H3
InChIKeyNDGAEHUEJWDENV-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.85
Rot. Bonds4

About 2-hydroxypropyl N,N-diethylcarbamate

2-hydroxypropyl N,N-diethylcarbamate (PubChem CID 12567902) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-hydroxypropyl N,N-diethylcarbamate.

Molecular Properties

Compound Name2-hydroxypropyl N,N-diethylcarbamate
PubChem CID12567902
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-hydroxypropyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC(C)O
InChIInChI=1S/C8H17NO3/c1-4-9(5-2)8(11)12-6-7(3)10/h7,10H,4-6H2,1-3H3
InChIKeyNDGAEHUEJWDENV-UHFFFAOYSA-N
XLogP0.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl N,N-diethylcarbamate?
The IUPAC name of 2-hydroxypropyl N,N-diethylcarbamate (CID 12567902) is 2-hydroxypropyl N,N-diethylcarbamate.
What is the SMILES notation for 2-hydroxypropyl N,N-diethylcarbamate?
The canonical SMILES for 2-hydroxypropyl N,N-diethylcarbamate is CCN(CC)C(=O)OCC(C)O.
What is the InChIKey of 2-hydroxypropyl N,N-diethylcarbamate?
The InChIKey is NDGAEHUEJWDENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-9(5-2)8(11)12-6-7(3)10/h7,10H,4-6H2,1-3H3.
What are the key properties of 2-hydroxypropyl N,N-diethylcarbamate?
2-hydroxypropyl N,N-diethylcarbamate has a molecular weight of 175.23 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl N,N-diethylcarbamate is sourced from PubChem (CID 12567902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).